SCHEMBL1055871

SCHEMBL1055871

c1ccc(NN2CCNCC2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.52
PLD1 Q13393 1/20 0.51
HTR7 P34969 2/20 0.44
ADRA2A P08913 2/20 0.44
ADRA2B P18089 2/20 0.44
ADRA2C P18825 2/20 0.44
ALDH1A1 P00352 3/20 0.43
TSHR P16473 2/20 0.43
ALOX15 P16050 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ROCK1 Q13464 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK10 P53779 1/20 0.41
GFER P55789 1/20 0.41
HTR1A P08908 1/20 0.41
USP2 O75604 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL6344808 0.83 MEN1 (0.45) MEN1KMT2AMAPK10GFER
SCHEMBL6354669 0.81 KDM1A (0.46) TSHRL3MBTL1MEN1KMT2AMAPK10
SCHEMBL27579953 0.81 KDM1A (0.46) TSHRL3MBTL1MEN1KMT2AMAPK10
SCHEMBL17293714 0.79 MEN1 (0.41) TSHRMEN1KMT2AMAPK10GFER
SCHEMBL3725865 0.77 GOT1 (0.44) BPTFPLD1ALDH1A1KDM4ESLC6A4
SCHEMBL11205493 0.77 ALDH1A1 (0.48) BPTFPLD1HTR7ALDH1A1TSHR
SCHEMBL2955241 0.76 NPC1 (0.47) TSHRMEN1KMT2AMAPK10GFER
SCHEMBL7474257 0.74 MEN1 (0.44) ADRA2AADRA2BADRA2CALDH1A1L3MBTL1
SCHEMBL3954599 0.72 POLB (0.59) BPTFALDH1A1KDM4EMEN1KMT2A
SCHEMBL12120569 0.72 DRD2 (0.44) ALDH1A1ALOX15MEN1KMT2AHTR1A

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
EP-3149008-A1 CERTAIN PROTEIN KINASE INHIBITORS Shanghai Fochon Pharmaceutical Co. Ltd (CN) 2017-04-05 EP claimed
WO-2015180642-A1 CERTAIN PROTEIN KINASE INHIBITORS SHANGHAI FOCHON PHARMACEUTICAL CO LTD (CN) 2015-12-03 WO claimed
EP-3421471-B1 PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LTD (GB) 2021-05-26 EP disclosed
EP-3719018-A1 PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS Astex Therapeutics Ltd (GB) 2020-10-07 EP disclosed
EP-3421471-A1 PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS Astex Therapeutics Limited (GB) 2019-01-02 EP disclosed
EP-2272517-B2 ORTHO -CONDENSED PYRIDINE AND PYRIMIDINE DERIVATIVES (E.G. PURINES) AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2017-09-20 EP disclosed
EP-3149008-A1 CERTAIN PROTEIN KINASE INHIBITORS Shanghai Fochon Pharmaceutical Co. Ltd (CN) 2017-04-05 EP disclosed
WO-2015180642-A1 CERTAIN PROTEIN KINASE INHIBITORS SHANGHAI FOCHON PHARMACEUTICAL CO LTD (CN) 2015-12-03 WO disclosed
US-9006430-B2 Ortho-condensed pyridine and pyrimidine derivatives (e.g., purines) as protein ASTEX THERAPEUTICS LIMITED (GB) 2015-04-14 US disclosed
US-20140303177-A1 ORTHO-CONDENSED PYRIDINE AND PYRIMIDINE DERIVATIVES (E.G., PURINES) AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2014-10-09 US disclosed
EP-2272517-B1 Ortho-condensed pyridine and pyrimidine derivatives ( e.g. purines ) as protein kinases inhibitors ASTEX THERAPEUTICS LTD (GB) 2014-10-01 EP disclosed
US-20070043049-A1 Substituted heterocyclic diarylamine analogues NEUROGEN CORPORATION (US) 2007-02-22 US disclosed
EP-1572112-A4 3-(PYRIDINYL-PIPERAZIN-1-YL)-PHENYLETHYL AMIDES AS POTASSIUM CHANNEL OPENERS BRISTOL MYERS SQUIBB CO (US) 2006-12-06 EP disclosed
US-7087609-B2 3-(pyridinyl-piperazin-1-yl)-phenylethyl amides as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY (US) 2006-08-08 US disclosed
WO-2006046024-A1 ORTHO- CONDENSED PYRIDINE AND PYRIMIDINE DERIVATIVES (E. G. PURINES) AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2006-05-04 WO disclosed
EP-1651636-A1 SUBSTITUTED HETEROCYCLIC DIARYLAMINE ANALOGUES NEUROGEN CORPORATION (US) 2006-05-03 EP disclosed
EP-1572112-A2 3-(PYRIDINYL-PIPERAZIN-1-YL)-PHENYLETHYL AMIDES AS POTASSIUM CHANNEL OPENERS Bristol-Myers Squibb Company (US) 2005-09-14 EP disclosed
WO-2005007646-A1 SUBSTITUTED HETEROCYCLIC DIARYLAMINE ANALOGUES NEUROGEN CORPORATION (US) 2005-01-27 WO disclosed
WO-2004047745-A2 3-(PYRIDINYL-PIPERAZIN-1-YL)-PHENYLETHYL AMIDES AS POTASSIUM CHANNEL OPENERS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-10 WO disclosed
US-20040110765-A1 3-(Pyridinyl-piperazin-1-yl)-phenylethyl amides as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY 2004-06-10 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-20070043049-A1 Substituted heterocyclic diarylamine analogues GPR35, NPY1R, BDKRB1 BPTF 4306/4885PLD1 1806/4885HTR7 145/4885
US-20040110765-A1 3-(Pyridinyl-piperazin-1-yl)-phenylethyl amides as potassium channel openers KCNQ3, KCNQ1, KCNQ2 BPTF 1762/4885PLD1 1791/4885HTR7 472/4885
US-20140303177-A1 ORTHO-CONDENSED PYRIDINE AND PYRIMIDINE DERIVATIVES (E.G., PURINES) AS PROTEIN KINASES INHIBITORS CDK2, CDK1, CDK3 BPTF 3550/4885PLD1 3625/4885HTR7 2267/4885

“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.