SCHEMBL5010128

SCHEMBL5010128

CN1CC=C(c2ccc(N)cc2F)CC1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.48
QDPR P09417 2/20 0.44
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
HTR1A P08908 1/20 0.43
ALOX15 P16050 1/20 0.43
HTR6 P50406 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL5008338 0.88 SLC6A4 (0.48) SLC6A4QDPR
SCHEMBL5038673 0.84 SLC6A4 (0.60) SLC6A4QDPR
SCHEMBL22821271 0.84 SLC6A4 (0.56) SLC6A4QDPRKDM4ELMNAPOLB
SCHEMBL29974417 0.84 QDPR (0.46) SLC6A4QDPRKDM4ELMNAPOLB
SCHEMBL21350146 0.83 SLC6A4 (0.48) SLC6A4QDPRKDM4ELMNAPOLB
SCHEMBL30594672 0.83 SLC6A4 (0.48) SLC6A4QDPRKDM4ELMNAPOLB
SCHEMBL23372146 0.82 SLC6A4 (0.48) SLC6A4QDPRKDM4ELMNAPOLB
SCHEMBL22807055 0.82 SLC6A4 (0.58) SLC6A4QDPRKDM4ELMNAPOLB
SCHEMBL30962901 0.82 KDM4E (0.49) SLC6A4QDPRKDM4ELMNAPOLB
SCHEMBL29920020 0.82 SLC6A4 (0.58) SLC6A4QDPRKDM4ELMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022261250-A1 THERAPEUTICS FOR THE DEGRADATION OF MUTANT BRAF C4 THERAPEUTICS, INC. (US) 2022-12-15 WO disclosed
US-7465726-B2 Substituted pyrrolo[2.3-B]pyridines OSI PHARMACEUTICALS, INC. (US) 2008-12-16 US disclosed
EP-1797054-A2 ARYL-AMINO SUBSTITUTED PYRROLOPYRIMIDINE MULTI-KINASE INHIBITING COMPOUNDS OSI Pharmaceuticals, Inc. (US) 2007-06-20 EP disclosed
US-20060211678-A1 Aryl-amino substituted pyrrolopyrimidine multi-kinase inhibiting compounds OSI PHARMACEUTICALS, INC. 2006-09-21 US disclosed
WO-2006017443-A2 ARYL-AMINO SUBSTITUTED PYRROLOPYRIMIDINE MULTI-KINASE INHIBITING COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2006-02-16 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-20060211678-A1 Aryl-amino substituted pyrrolopyrimidine multi-kinase inhibiting compounds BMX, ERBB2, FRK SLC6A4 4247/4885QDPR 3888/4885KDM4E 975/4885

“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.