SCHEMBL3961491

SCHEMBL3961491

Cc1ccc2c(N)ccc(F)c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.41
RAB9A P51151 1/20 0.41
CCR5 P51681 1/20 0.41
KMT2A Q03164 3/20 0.39
OPRK1 P41145 1/20 0.39
ADORA2A P29274 3/20 0.39
NR4A2 P43354 2/20 0.39
GAA P10253 1/20 0.38
KDM4E B2RXH2 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
GRM5 P41594 1/20 0.36
MAPT P10636 2/20 0.36
ADORA1 P30542 2/20 0.36
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
USP2 O75604 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL11901636 0.85 KDM4E (0.44) CCR1RAB9ACCR5KMT2AOPRK1
SCHEMBL11559049 0.80 KMT2A (0.50) CCR1RAB9ACCR5KMT2AOPRK1
SCHEMBL3532504 0.80 NCF1 (0.44) RAB9AKMT2AGAAKDM4EALDH1A1
SCHEMBL24207472 0.79 CCR1 (0.40) CCR1RAB9ACCR5KMT2AOPRK1
SCHEMBL2883600 0.77 KMT2A (0.56) CCR1RAB9ACCR5KMT2AOPRK1
SCHEMBL31556365 0.77 CCR1 (0.41) CCR1RAB9ACCR5KMT2AOPRK1
SCHEMBL11557724 0.77 NR4A2 (0.59) CCR1RAB9ACCR5KMT2AOPRK1
SCHEMBL1461144 0.77 KMT2A (0.67) CCR1RAB9ACCR5KMT2AOPRK1
SCHEMBL12416583 0.77 CCR1 (0.41) CCR1RAB9ACCR5KMT2AOPRK1
SCHEMBL24207470 0.77 KDM4E (0.38) CCR1RAB9ACCR5KMT2AOPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1844039-B1 5-SUBSTITUTED QUINOLINE AND ISOQUINOLINE DERIVATIVES, A METHOD FOR THE PRODUCTION THEREOF AND THEIR USE AS ANTIPHLOGISTICS BAYER SCHERING PHARMA AG (DE) 2009-07-15 EP disclosed
US-7417056-B2 5-substituted quinoline and isoquinoline derivatives, a process for their production and their use as anti-inflammatory agents SCHERING AG (DE) 2008-08-26 US disclosed
US-20060116396-A1 5-Substituted quinoline and isoquinoline derivatives, a process for their production and their use as anti-inflammatory agents BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2006-06-01 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 (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-20060116396-A1 5-Substituted quinoline and isoquinoline derivatives, a process for their production and their use as anti-inflammatory agents NFKBIA, PTGS2, PTGES2 CCR1 2839/4885RAB9A 1415/4885CCR5 358/4885

“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.