SCHEMBL13212450

SCHEMBL13212450

CCCNc1nc(N2CCN(c3ccccc3)CC2)nc2c1SC(C)(C)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.40
▸ HPGD P15428 3/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HRH4 Q9H3N8 2/20 0.38
▸ MAPT P10636 5/20 0.37
▸ HTT P42858 4/20 0.37
▸ LMNA P02545 4/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ TLR8 Q9NR97 1/20 0.37
▸ TLR7 Q9NYK1 1/20 0.37
▸ TSHR P16473 3/20 0.36
▸ GGPS1 O95749 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ KHK P50053 1/20 0.36

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
SCHEMBL13212452 0.84 HRH4 (0.46) ALDH1A1HPGDSMN1; SMN2HRH4MAPT
SCHEMBL2916952 0.81 PDE11A (0.42) ALDH1A1HPGDSMN1; SMN2HRH4MAPT
SCHEMBL13176672 0.79 CCR4 (0.44) ALDH1A1HPGDSMN1; SMN2MAPTHTT
SCHEMBL2922786 0.70 HTT (0.36) ALDH1A1SMN1; SMN2HRH4MAPTHTT
SCHEMBL2920928 0.70 ESR1 (0.36) ALDH1A1MAPTLMNAKMT2AKDM4E
SCHEMBL3948726 0.70 CETP (0.45) ALDH1A1HRH4LMNAKMT2AKDM4E
SCHEMBL2911656 0.70 MEN1 (0.34) ALDH1A1HRH4MAPTLMNAKMT2A
SCHEMBL2923250 0.69 KMT2A (0.41) ALDH1A1HPGDMAPTHTTKMT2A
SCHEMBL3022088 0.69 MAPT (0.41) ALDH1A1SMN1; SMN2HRH4MAPTHTT
SCHEMBL13212462 0.68 PDE11A (0.37) ALDH1A1HRH4MAPTKMT2ATSHR

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354531-B2 Compounds for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-15 — — US disclosed
US-8354531-B2 Compounds for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-15 — — US disclosed
US-20100197656-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-05 — — US disclosed
US-20100197656-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-05 — — US disclosed
US-7723341-B2 Dihydrothienopyrimidines, suitable for the treatment of respiratory, gastrointestinal, inflammatory, nervous system disorders and/or cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2010-05-25 — — US disclosed
US-7723341-B2 Dihydrothienopyrimidines, suitable for the treatment of respiratory, gastrointestinal, inflammatory, nervous system disorders and/or cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2010-05-25 — — US disclosed
US-20090186875-A1 Dihydrothienopyrimidines, suitable for the treatment of respiratory, gastrointestinal, inflammatory, nervous system disorders and/or cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-23 — — US disclosed
US-20090186875-A1 Dihydrothienopyrimidines, suitable for the treatment of respiratory, gastrointestinal, inflammatory, nervous system disorders and/or cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-23 — — US disclosed
US-7511045-B2 Dihydrothienopyrimidines; gastrointestinal disorders; cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-31 — — US disclosed
US-7511045-B2 Dihydrothienopyrimidines; gastrointestinal disorders; cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-31 — — US disclosed
US-20070259846-A1 Dihydrothienopyrimidines; gastrointestinal disorders; cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-08 — — US disclosed
US-20070259846-A1 Dihydrothienopyrimidines; gastrointestinal disorders; cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-08 — — 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 (3 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-20090186875-A1 Dihydrothienopyrimidines, suitable for the treatment of respiratory, gastrointestinal, inflammatory, nervous system disorders and/or cancer DPYD, DHODH, FH ALDH1A1 47/4885HPGD 66/4885SMN1; SMN2 1070/4885
US-20100197656-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISEASES TPMT, MALT1, IL1B ALDH1A1 100/4885HPGD 193/4885SMN1; SMN2 1382/4885
US-20070259846-A1 Dihydrothienopyrimidines; gastrointestinal disorders; cancer DPYD, DHODH, DPM1 ALDH1A1 58/4885HPGD 127/4885SMN1; SMN2 2033/4885

“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.

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