SCHEMBL12376784

SCHEMBL12376784

CC(C)Nc1ncccc1C(=O)Nc1ccc(F)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.59
▸ MEN1 O00255 6/20 0.59
▸ MAPT P10636 5/20 0.59
▸ GAA P10253 3/20 0.59
▸ KDM4E B2RXH2 2/20 0.59
▸ KDR P35968 2/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ ALDH1A1 P00352 3/20 0.56
▸ RAB9A P51151 2/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ DHODH Q02127 1/20 0.52
▸ LMNA P02545 2/20 0.51
▸ PDPK1 O15530 1/20 0.51
▸ MAPK1 P28482 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ AHR P35869 1/20 0.50
▸ TUBB4A P04350 1/20 0.49
▸ TUBB P07437 1/20 0.49
▸ TUBA3C P0DPH7 1/20 0.49
▸ TUBA1B P68363 1/20 0.49

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
SCHEMBL14368225 0.88 KDM4E (0.64) KMT2AMEN1MAPTGAAKDM4E
SCHEMBL12409539 0.85 KMT2A (0.62) KMT2AMEN1MAPTGAAKDM4E
SCHEMBL10971857 0.79 KMT2A (0.65) KMT2AMEN1MAPTGAAKDM4E
SCHEMBL26598800 0.79 LMNA (0.50) KMT2AMEN1MAPTGAAKDM4E
SCHEMBL4600539 0.79 KMT2A (0.63) KMT2AMEN1MAPTGAAKDM4E
SCHEMBL15110199 0.77 P2RX7 (0.59) KMT2AMEN1MAPTGAAKDM4E
SCHEMBL1944860 0.76 PRKCI (0.75) KMT2AMEN1MAPTGAAKDM4E
SCHEMBL15528705 0.76 MEN1 (0.79) KMT2AMEN1MAPTGAAKDM4E
SCHEMBL6104906 0.76 PDPK1 (0.63) KMT2AMEN1MAPTGAAKDM4E
SCHEMBL16878845 0.75 MEN1 (0.60) KMT2AMEN1MAPTGAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003662-B2 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. (US) 2011-08-23 — — US disclosed
US-20110130406-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-06-02 — — US disclosed
US-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2010-10-07 — — US disclosed
US-7723330-B2 Heterobicyclic pyrazole compounds and methods of use ARRAY BIOPHARMA INC. (US) 2010-05-25 — — US disclosed
WO-2009033084-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-03-12 — — WO disclosed
WO-2008063202-A2 HETEROBICYCLIC THIOPHENE COMPOUNDS FOR THE TREATMENT OF CANCER ARRAY BIOPHARMA INC. (US) 2008-05-29 — — WO disclosed
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use GENENTECH, INC. 2007-10-11 — — US disclosed
WO-2007103308-A2 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2007-09-13 — — WO disclosed
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. 2007-08-23 — — 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 (4 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-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ERBB2, LCK, SRC KMT2A 4415/4885MEN1 3149/4885MAPT 4444/4885
US-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ROR1, CYP11B1, CYP11B2 KMT2A 4800/4885MEN1 2329/4885MAPT 538/4885
US-20110130406-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS TYRO3, LCK, LTK KMT2A 3787/4885MEN1 2342/4885MAPT 329/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 KMT2A 4800/4885MEN1 2329/4885MAPT 538/4885

“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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