SCHEMBL12277693

SCHEMBL12277693

CC(C)c1cn[nH]c1-c1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 17/20 0.55
MAPK14 Q16539 3/20 0.50
TGFBR2 P37173 1/20 0.48
ABL2 P42684 1/20 0.48
CSNK1A1 P48729 1/20 0.48
CSNK1D P48730 1/20 0.48
MAP3K20 Q9NYL2 1/20 0.48
ACVR1B P36896 1/20 0.43
METAP2 P50579 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CCR1 P32246 1/20 0.42
CCR5 P51681 1/20 0.42
CCR8 P51685 1/20 0.42
METAP1 P53582 1/20 0.42
BLM P54132 1/20 0.42
HIF1A Q16665 1/20 0.42
DOHH Q9BU89 1/20 0.42

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
SCHEMBL14960651 0.77 TGFBR1 (0.60) TGFBR1MAPK14TGFBR2ABL2CSNK1A1
SCHEMBL10413171 0.75 TGFBR1 (0.77) TGFBR1MAPK14TGFBR2ABL2CSNK1A1
SCHEMBL12277788 0.75 RPS6KA3 (0.47) TGFBR1MAPK14METAP2KDM4ELMNA
SCHEMBL26453218 0.74 TGFBR1 (0.60) TGFBR1MAPK14TGFBR2ABL2CSNK1A1
SCHEMBL30919457 0.74 TGFBR1 (0.60) TGFBR1MAPK14TGFBR2ABL2CSNK1A1
SCHEMBL29118400 0.71 KDM4E (0.52) KDM4ELMNACYP1A2POLBCCR1
SCHEMBL12277249 0.70 TSHR (0.35) TGFBR1METAP2KDM4ECYP1A2METAP1
SCHEMBL8227726 0.69 KDM4E (0.50) KDM4ELMNACYP1A2POLBCCR1
SCHEMBL29986460 0.68 KDM4E (0.48) KDM4ELMNACYP1A2POLBCCR1
SCHEMBL31358283 0.68 KDM4E (0.48) KDM4ELMNACYP1A2POLBCCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858912-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2024-01-02 US disclosed
US-20230133845-A1 NOVEL HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2023-05-04 US disclosed
US-20230133845-A1 NOVEL HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2023-05-04 US disclosed
US-20150126502-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARM INC (US) 2015-05-07 US disclosed
US-20130231335-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. (US) 2013-09-05 US disclosed
US-8445503-B2 Inhibitors of polo-like kinase ELAN PHARMACEUTICALS, INC. (US) 2013-05-21 US disclosed
US-20110212942-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. 2011-09-01 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 (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-11858912-B2 Heterocyclic compounds F12, C1R, MRPL21 TGFBR1 1666/4885MAPK14 3148/4885TGFBR2 3057/4885
US-20110212942-A1 INHIBITORS OF POLO-LIKE KINASE PLK1, POLK, POLR2E TGFBR1 2291/4885MAPK14 754/4885TGFBR2 2993/4885
US-20130231335-A1 INHIBITORS OF POLO-LIKE KINASE POLK, PLK1, POLR2E TGFBR1 2340/4885MAPK14 753/4885TGFBR2 3077/4885
US-20150126502-A1 INHIBITORS OF POLO-LIKE KINASE POLK, PLK1, POLR2E TGFBR1 2340/4885MAPK14 753/4885TGFBR2 3077/4885
US-20230133845-A1 NOVEL HETEROCYCLIC COMPOUNDS F12, PM20D2, XDH TGFBR1 1684/4885MAPK14 2908/4885TGFBR2 3244/4885

“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.