SCHEMBL2266482

SCHEMBL2266482

c1cc2c3c(c1)ccn3CCCC2

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.41
MCL1 Q07820 1/20 0.40
HTR1A P08908 2/20 0.39
HTR2C P28335 2/20 0.39
HTR2A P28223 1/20 0.39
TSHR P16473 1/20 0.38
HTR3A P46098 4/20 0.37
BCL2L1 Q07817 1/20 0.37
BAD Q92934 1/20 0.37
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTR2B P41595 1/20 0.36
SLC9A1 P19634 1/20 0.33
LIPG Q9Y5X9 1/20 0.33

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
SCHEMBL6798145 0.98 PARP1 (0.41) PARP1MCL1HTR1AHTR2CHTR2A
SCHEMBL12037714 0.98 PARP1 (0.41) PARP1MCL1HTR1AHTR2CHTR2A
SCHEMBL30955312 0.94 MCL1 (0.44) PARP1MCL1HTR1AHTR2CHTR2A
SCHEMBL1395813 0.94 MCL1 (0.44) PARP1MCL1HTR1AHTR2CHTR2A
SCHEMBL64500 0.86 PARP1 (0.45) PARP1MCL1HTR1AHTR2CHTR2A
SCHEMBL12021879 0.80 MAOA (0.42) PARP1HTR1AHTR2CHTR2AHTR3A
SCHEMBL12021863 0.79 ADRA2A (0.50) PARP1HTR1AHTR2CHTR2A
SCHEMBL2335955 0.77 PARP1 (0.49) PARP1HTR1AHTR2CHTR2ATSHR
SCHEMBL19305557 0.71 PARP1 (0.50) PARP1HTR2CHTR2AHSD17B10HTR2B
SCHEMBL17553824 0.71 PARP1 (0.40) PARP1HTR1ATSHRHTR3AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030018056-A1 Substituted guanidine derivatives SUMITOMO PHARMACEUTICALS COMPANY LIMITED (JP) 2003-01-23 US claimed
EP-1238971-A1 SUBSTITUTED GUANIDINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2002-09-11 EP claimed
US-20110294792-A1 PURINE DERIVATIVES AS KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2011-12-01 US disclosed
US-20110294792-A1 PURINE DERIVATIVES AS KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2011-12-01 US disclosed
US-20110294792-A1 PURINE DERIVATIVES AS KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2011-12-01 US disclosed
US-8058425-B2 Purine derivatives as kinase inhibitors ELI LILLY AND COMPANY (US) 2011-11-15 US disclosed
US-8058425-B2 Purine derivatives as kinase inhibitors ELI LILLY AND COMPANY (US) 2011-11-15 US disclosed
US-8058425-B2 Purine derivatives as kinase inhibitors ELI LILLY AND COMPANY (US) 2011-11-15 US disclosed
US-8022065-B2 Purine derivatives as kinase inhibitors ELI LILLY AND COMPANY (US) 2011-09-20 US disclosed
US-8022065-B2 Purine derivatives as kinase inhibitors ELI LILLY AND COMPANY (US) 2011-09-20 US disclosed
US-20110207721-A1 PURINE DERIVATIVES AS KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2011-08-25 US disclosed
US-20030229026-A1 Agents and methods for the treatment of proliferative diseases ELI LILLY AND COMPANY 2003-12-11 US disclosed
WO-2003076442-A1 PURINE DERIVATIVES AS KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-09-18 WO disclosed
WO-2003076442-A1 PURINE DERIVATIVES AS KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-09-18 WO disclosed
US-20030092676-A1 Agents and method for the treatment of proliferative diseases ELI LILLY AND COMPANY 2003-05-15 US disclosed
US-20030018056-A1 Substituted guanidine derivatives SUMITOMO PHARMACEUTICALS COMPANY LIMITED (JP) 2003-01-23 US disclosed
EP-1238971-A1 SUBSTITUTED GUANIDINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2002-09-11 EP disclosed
US-5198437-A 5-hydroxytryptamine antagonist DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1993-03-30 US disclosed
US-4985420-A 5-HYDROXYTRYPTAMINE RECEPTOR ANTAGONISTS DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1991-01-15 US disclosed
EP-0322016-A1 1,7-Annelated indolecarboxylic acid esters and -amides DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1989-06-28 EP 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 (5 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-20030092676-A1 Agents and method for the treatment of proliferative diseases MKI67, CDKN1A, CDK4 PARP1 579/4885MCL1 92/4885HTR1A 3572/4885
US-20110294792-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 PARP1 509/4885MCL1 611/4885HTR1A 2208/4885
US-20110207721-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 PARP1 509/4885MCL1 611/4885HTR1A 2208/4885
US-20030018056-A1 Substituted guanidine derivatives SLC28A1, SLC7A1, ABCB11 PARP1 1943/4885MCL1 1343/4885HTR1A 894/4885
US-20030229026-A1 Agents and methods for the treatment of proliferative diseases MKI67, CDKN1A, CDK1 PARP1 516/4885MCL1 78/4885HTR1A 3530/4885

“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.