SCHEMBL5878705

SCHEMBL5878705

CC1CN(CCNC=O)CC(C)N1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.38
GNAO1 P09471 1/20 0.38
GNAI1 P63096 1/20 0.38
SIGMAR1 Q99720 7/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SCARB1 Q8WTV0 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTR2B P41595 1/20 0.36

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
SCHEMBL6808516 0.89 SIGMAR1 (0.41) GNAI3GNAO1GNAI1SIGMAR1MEN1
SCHEMBL24951468 0.79 GNAI3 (0.38) GNAI3GNAO1GNAI1KMT2AALDH1A1
SCHEMBL8406260 0.76 CARM1 (0.50) SIGMAR1MEN1KMT2ASCARB1ALDH1A1
SCHEMBL22102447 0.76 CARM1 (0.50) SIGMAR1MEN1KMT2ASCARB1ALDH1A1
SCHEMBL24381751 0.75 GNAI3 (0.37) GNAI3GNAO1GNAI1ADH1BADH1A
SCHEMBL5878700 0.74 SIGMAR1 (0.36) SIGMAR1MEN1KMT2ASCARB1ALDH1A1
SCHEMBL13993953 0.73 NPSR1 (0.38) SIGMAR1MEN1KMT2ASCARB1ALDH1A1
SCHEMBL19981654 0.72 CARM1 (0.60) GNAI3GNAO1GNAI1SIGMAR1ALDH1A1
SCHEMBL14431493 0.71
SCHEMBL23419024 0.70 SIGMAR1 (0.36) SIGMAR1MEN1KMT2ASCARB1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7053114-B2 Prodrugs of a 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives SUGEN, INC. (US) 2006-05-30 US disclosed
US-6797725-B2 SUCH AS 4-METHYL-5-(2-OXO-1,2-DIHYDROINDOL-3-YLILDENEMETHYL)-1H-PYRROLE-2-CARBOXYLIC ACID FOR PREVENTION AND TREATMENT OF PROTEIN KINASE RELATED CELLULAR DISORDERS; ANTICANCER AGENTS SUGEN, INC. 2004-09-28 US disclosed
US-20040186161-A1 Prodrugs of a 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives SUGEN, INC. 2004-09-23 US disclosed
US-20030100555-A1 Prodrugs of a 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives SUGEN. INC. 2003-05-29 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 (2 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-20040186161-A1 Prodrugs of a 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives PLK2, CDK2, PDPK1 GNAI3 668/4885GNAO1 2282/4885GNAI1 751/4885
US-20030100555-A1 Prodrugs of a 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives PLK2, CDK2, PDPK1 GNAI3 668/4885GNAO1 2282/4885GNAI1 751/4885

“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.