SCHEMBL6029602

SCHEMBL6029602

COc1cc(Br)c2c(ccn2C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.36
MTNR1B P49286 3/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2A6 P11509 1/20 0.35
CDK4 P11802 3/20 0.35
CCND1 P24385 3/20 0.35
CCNE2 O96020 2/20 0.35
CCNE1 P24864 2/20 0.35
CDK2 P24941 2/20 0.35
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
HTR2C P28335 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP1A1 P04798 2/20 0.33
CYP1B1 Q16678 2/20 0.33
HTR2A P28223 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
SCHEMBL29234949 0.84 MAPT (0.32) HTR2CKDM4EMEN1MAPTKMT2A
SCHEMBL30965442 0.84 MAPT (0.32) HTR2CKDM4EMEN1MAPTKMT2A
SCHEMBL30109189 0.81 CDK4 (0.40) MTNR1AMTNR1BALDH1A1CYP1A2CYP2A6
SCHEMBL17452813 0.80 CYP1A2 (0.39) ALDH1A1CYP1A2CYP2A6CDK4CCND1
SCHEMBL6030519 0.79 KDM4E (0.38) CYP1A2CYP2A6CDK4CCND1CCNE2
SCHEMBL20314839 0.77 HTR2C (0.38) ALDH1A1CYP1A2CYP2A6CDK4CCND1
SCHEMBL19187660 0.77 HTR2C (0.41) MTNR1AMTNR1BHTR2CKDM4EMEN1
SCHEMBL6030299 0.77 PRKCI (0.33) CYP2A6CDK4CCND1CCNE2CCNE1
SCHEMBL15712762 0.76 PRKCI (0.48) ALDH1A1CYP2A6KDM4EMEN1MAPT
SCHEMBL31276705 0.76 CDK4 (0.35) CYP2A6CDK4CCND1CCNE2CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118221698-A KRAS G12D inhibitors 艾立康药业股份有限公司 2024-06-21 CN disclosed
US-7109229-B2 Methods and compounds for treating proliferative diseases ELI LILLY AND COMPANY (US) 2006-09-19 US disclosed
EP-1325011-B1 METHODS AND COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES LILLY CO ELI (US) 2004-05-06 EP disclosed
US-20040048915-A1 Methods and compounds for treating proliferative diseases ENGLER THOMAS ALBERT (US) 2004-03-11 US disclosed
EP-1325011-A2 METHODS AND COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES ELI LILLY AND COMPANY (US) 2003-07-09 EP disclosed
WO-2002028861-A2 METHODS AND COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES ELI LILLY AND COMPANY (US) 2002-04-11 WO 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 (1 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-20040048915-A1 Methods and compounds for treating proliferative diseases CDK4, CCNI, CCNA1 MTNR1A 839/4885MTNR1B 854/4885ALDH1A1 450/4885

“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.