SCHEMBL6808516

SCHEMBL6808516

CC1CN(CCCNC=O)CC(C)N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.41
SCARB1 Q8WTV0 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTR2B P41595 1/20 0.41
HTT P42858 1/20 0.41
ADH1B P00325 2/20 0.39
ADH1C P00326 2/20 0.39

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
SCHEMBL5878705 0.89 GNAI3 (0.38) SIGMAR1SCARB1MEN1KMT2AALDH1A1
SCHEMBL6808513 0.76 SIGMAR1 (0.41) SIGMAR1SCARB1MEN1KMT2AALDH1A1
SCHEMBL2386353 0.74 SIGMAR1 (0.47) SIGMAR1SCARB1MEN1KMT2AALDH1A1
SCHEMBL2387295 0.74 SIGMAR1 (0.47) SIGMAR1SCARB1MEN1KMT2AALDH1A1
SCHEMBL16207271 0.73 ADH1B (0.46) ALDH1A1TP53MAPK1HTTADH1B
SCHEMBL20407305 0.73
SCHEMBL3103478 0.71 GLB1 (0.52) SIGMAR1SCARB1MEN1KMT2AALDH1A1
SCHEMBL2183070 0.71 ADH1B (0.45) SIGMAR1KMT2AALDH1A1TP53TSHR
SCHEMBL8406260 0.70 CARM1 (0.50) SIGMAR1SCARB1MEN1KMT2AALDH1A1
SCHEMBL10921394 0.70 SIGMAR1 (0.47) SIGMAR1SCARB1MEN1KMT2AALDH1A1

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
US-20040063773-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors SUGEN, INC. & PHARMACIA & UPJOHN CO. 2004-04-01 US claimed
US-20030216410-A1 Combination therapy for the treatment of cancer PHARMACIA CORPORATION 2003-11-20 US claimed
US-6573293-B2 Pyrrole substituted 2-indolinone protein kinase inhibitors SUGEN, INC. 2003-06-03 US claimed
EP-1255752-A2 PYRROLE SUBSTITUTED 2-INDOLINONE PROTEIN KINASE INHIBITORS Sugen, Inc. (US) 2002-11-13 EP claimed
US-20020156292-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors PHARMACIA & UPJOHN COMPANY LLC 2002-10-24 US claimed
WO-2001060814-A2 PYRROLE SUBSTITUTED 2-INDOLINONE PROTEIN KINASE INHIBITORS SUGEN, INC. (US) 2001-08-23 WO claimed

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-20030216410-A1 Combination therapy for the treatment of cancer PTGS2, PTGES2, PTGFR SIGMAR1 3737/4885SCARB1 2348/4885MEN1 3129/4885
US-20040063773-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors PDPK1, MAP3K20, PLK2 SIGMAR1 4052/4885SCARB1 4815/4885MEN1 3826/4885
US-20020156292-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors PDPK1, MAP3K20, PLK2 SIGMAR1 4052/4885SCARB1 4815/4885MEN1 3826/4885

“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.