SCHEMBL3508945

SCHEMBL3508945

FC1(F)CCN(Cc2ccc(Cl)nc2)CC1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
ATM Q13315 1/20 0.56
HRH3 Q9Y5N1 1/20 0.49
CHRNA1 P02708 2/20 0.48
CHRNA7 P36544 2/20 0.48
CHRNB2 P17787 1/20 0.48
CHRNA3 P32297 1/20 0.48
CHRNA4 P43681 1/20 0.48
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL1823298 0.82 KMT2A (0.63) KMT2AMEN1ATMHRH3CHRNA1
SCHEMBL5048083 0.82 KMT2A (0.63) KMT2AMEN1ATMHRH3CHRNA1
SCHEMBL4592802 0.81 KMT2A (0.53) KMT2AMEN1ATMCHRNA1CHRNA7
SCHEMBL26944348 0.81 HRH3 (0.46) KMT2AMEN1ATMHRH3CHRNB2
SCHEMBL16345634 0.81 TRPV6 (0.48) KMT2AMEN1ATMHRH3
SCHEMBL4592427 0.80 HRH3 (0.64) KMT2AMEN1ATMHRH3ALDH1A1
SCHEMBL5040678 0.80 HRH3 (0.64) KMT2AMEN1ATMHRH3ALDH1A1
SCHEMBL31093335 0.79 KMT2A (0.59) KMT2AMEN1ATMHRH3CHRNA1
SCHEMBL31003316 0.78 IDH1 (0.49) KMT2AMEN1ATMHRH3
SCHEMBL392531 0.78 HRH3 (0.61) KMT2AMEN1ATMHRH3CHRNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
EP-2166846-B1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME (US) 2012-10-17 EP disclosed
EP-2166846-B1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME (US) 2012-10-17 EP disclosed
US-20100256097-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-07 US disclosed
US-20100256097-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-07 US disclosed
US-20100256097-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-07 US disclosed
EP-2166846-A1 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2010-03-31 EP disclosed
WO-2008156726-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2008-12-24 WO disclosed
WO-2008156726-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2008-12-24 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-20100256097-A1 INHIBITORS OF JANUS KINASES JAK2, JAK3, JAK1 KMT2A 617/4885MEN1 989/4885ATM 316/4885

“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.