SCHEMBL2600734

SCHEMBL2600734

Cc1nc(C(C)C)nc(C)c1C

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13054400 0.84
SCHEMBL10345555 0.82 ADORA2A (0.30)
SCHEMBL11802553 0.79 HRH4 (0.34)
SCHEMBL12904537 0.79 KDM5B (0.33)
SCHEMBL19523211 0.78 HTT (0.32)
SCHEMBL2611024 0.77 HRH4 (0.34)
SCHEMBL26833487 0.77
SCHEMBL12931233 0.73 HRH4 (0.30)
SCHEMBL2600738 0.71
SCHEMBL24730493 0.71 KDM5B (0.30)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY C 4 Therapeutics, Inc. (US) 2024-01-18 US disclosed
WO-2023220137-A1 PYRAZINE DERIVATIVES AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2023-11-16 WO disclosed
US-11771689-B2 Cereblon modulators and uses thereof VIVIDION THERAPEUTICS, INC. (US) 2023-10-03 US disclosed
US-20180194739-A1 METHODS TO TREAT LYMPHOPLASMACYTIC LYMPHOMA DANA-FARBER CANCER INSTITUTE, INC. 2018-07-12 US disclosed
US-20180194746-A1 Compounds For the Treatment of HIV GILEAD SCIENCES, INC. 2018-07-12 US disclosed
US-20180186780-A1 METHODS TO TREAT LYMPHOPLASMACYTIC LYMPHOMA DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-07-05 US disclosed
US-9944619-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2018-04-17 US disclosed
US-9908872-B2 Methods to treat lymphoplasmacytic lymphoma DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-03-06 US disclosed
US-9856223-B2 Methods to treat lymphoplasmacytic lymphoma DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-01-02 US disclosed
US-9780310-B2 Heterocyclic compound for organic electroluminescent device and its application TOSOH CORPORATION (JP) 2017-10-03 US disclosed
US-20120107271-A1 ETHYNYL-SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS MERCK SHARP & DOHME LLC 2012-05-03 US disclosed
US-20120095022-A1 DERIVATIVES OF 10-AMINO-1,2,3,4-TETRAHYDROPYRIDO[2,1-A]ISOINDOL-6(10BH)-ONES, METHOD FOR PREPARATION THEREOF AND THERAPEUTIC USES THEREOF UNIVERSITE D'ORLEANS (FR) 2012-04-19 US disclosed
US-20110318305-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS MERCK SHARP & DOHME LLC 2011-12-29 US disclosed
US-20110286965-A1 ETHENYL-SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS MERCK SHARP & DOHME LLC 2011-11-24 US disclosed
US-20110286964-A1 AZO-SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS MERCK SHARP & DOHME LLC 2011-11-24 US disclosed
US-7998987-B2 Inhibitors of c-Met and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-08-16 US disclosed
US-20100190774-A1 INHIBITORS OF C-MET AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-29 US disclosed
US-7728017-B2 Inhibitors of c-Met and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-01 US disclosed
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 US disclosed
US-20070191369-A1 Inhibitors of c-Met and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2007-08-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120107271-A1 ETHYNYL-SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS CYP2C9, P2RX3, F12 CHRM3 387/4885PDE4A 2589/4885PDE4B 3028/4885
US-20180186780-A1 METHODS TO TREAT LYMPHOPLASMACYTIC LYMPHOMA IRAK1, IRAK4, IRAK2 CHRM3 3080/4885PDE4A 3204/4885PDE4B 3358/4885
US-20070191369-A1 Inhibitors of c-Met and uses thereof MET, HGF, ABL1 CHRM3 4174/4885PDE4A 2371/4885PDE4B 2443/4885
US-20110318305-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS PNP, XDH, PNPO CHRM3 646/4885PDE4A 1722/4885PDE4B 1951/4885
US-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN CHRM3 4278/4885PDE4A 2296/4885PDE4B 2206/4885
US-20110286965-A1 ETHENYL-SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS CYP2C9, PNP, UGT1A3 CHRM3 698/4885PDE4A 2279/4885PDE4B 2656/4885
US-20100190774-A1 INHIBITORS OF C-MET AND USES THEREOF MET, HGF, ABL1 CHRM3 4174/4885PDE4A 2371/4885PDE4B 2443/4885
US-20180194739-A1 METHODS TO TREAT LYMPHOPLASMACYTIC LYMPHOMA IRAK1, IRAK4, IRAK2 CHRM3 3058/4885PDE4A 2984/4885PDE4B 3264/4885
US-11771689-B2 Cereblon modulators and uses thereof CRBN, CBFB, CNN2 CHRM3 900/4885PDE4A 344/4885PDE4B 197/4885
US-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY NFATC1, CTSS, MMP12 CHRM3 4053/4885PDE4A 2776/4885PDE4B 3400/4885
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders LCK, MALT1, MYD88 CHRM3 3409/4885PDE4A 1469/4885PDE4B 1509/4885
US-20110286964-A1 AZO-SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS XDH, CYP2C9, CYP2C8 CHRM3 885/4885PDE4A 1344/4885PDE4B 1507/4885
US-20120095022-A1 DERIVATIVES OF 10-AMINO-1,2,3,4-TETRAHYDROPYRIDO[2,1-A]ISOINDOL-6(10BH)-ONES, METHOD FOR PREPARATION THEREOF AND THERAPEUTIC USES THEREOF HRH2, HRH1, SULT2A1 CHRM3 127/4885PDE4A 2957/4885PDE4B 2158/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.