SCHEMBL1231947

SCHEMBL1231947

Nc1c(C(F)(F)F)cnc(Nc2ccc3[nH]cc(C4=CCNCC4)c3c2)c1-c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ HTR2C P28335 2/20 0.42
▸ DRD2 P14416 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ PRKD3 O94806 1/20 0.42
▸ MARK3 P27448 1/20 0.42
▸ PRKCI P41743 1/20 0.42
▸ PRKCD Q05655 1/20 0.42
▸ CAMK2B Q13554 1/20 0.42
▸ CAMK2G Q13555 1/20 0.42
▸ CAMK2D Q13557 1/20 0.42
▸ BRSK1 Q8TDC3 1/20 0.42
▸ PIM2 Q9P1W9 1/20 0.42
▸ MAP4K5 Q9Y4K4 1/20 0.42
▸ HTR6 P50406 2/20 0.40
▸ MEN1 O00255 1/20 0.40

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
SCHEMBL5212767 0.80 ULK1 (0.47) KDM4EALDH1A1MAPTHSD17B10HTR2C
SCHEMBL12901101 0.79 KDM4E (0.43) KDM4EALDH1A1MAPTHSD17B10HTR2C
SCHEMBL5213817 0.76 CDK1 (0.47) KDM4EALDH1A1MAPTHSD17B10HTR2C
SCHEMBL5216635 0.74 PTK2 (0.45) JAK2PIM1CDK2
SCHEMBL5213071 0.72 PTK2 (0.41) KDM4EALDH1A1MAPTHSD17B10HTR2C
SCHEMBL5210684 0.72 PTK2 (0.45) KDM4EALDH1A1MAPTHSD17B10HTR2C
SCHEMBL18559517 0.72 MAPK9 (0.42) KDM4EALDH1A1MAPTHSD17B10HTR2C
SCHEMBL6212755 0.71 PTK2 (0.46) KDM4EALDH1A1MAPTHSD17B10HTR2C
SCHEMBL8119645 0.71 GABRP (0.51) KDM4EALDH1A1MAPTHSD17B10HTR2C
SCHEMBL1232424 0.71 MAPK9 (0.59) KDM4EALDH1A1MAPTHSD17B10HTR2C

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
US-9580439-B2 Inhibitors of focal adhesion kinase THE SCRIPPS RESEARCH INSTITUTE (US) 2017-02-28 — — US disclosed
EP-2134689-B1 INHIBITORS OF FOCAL ADHESION KINASE SCRIPPS RESEARCH INST (US) 2014-04-23 — — EP disclosed
US-20130281443-A1 INHIBITORS OF FOCAL ADHESION KINASE THE SCRIPPS RESEARCH INSTITUTE (US) 2013-10-24 — — US disclosed
US-8501763-B2 Inhibitors of focal adhesion kinase THE SCRIPPS RESEARCH INSTITUTE (US) 2013-08-06 — — US disclosed
US-20110046121-A1 INHIBITORS OF FOCAL ADHESION KINASE THE SCRIPPS RESEARCH INSTITUTE (US) 2011-02-24 — — 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-20110046121-A1 INHIBITORS OF FOCAL ADHESION KINASE PTK2, CABLES1, TNK2 KDM4E 1164/4885ALDH1A1 1557/4885MAPT 2341/4885
US-20130281443-A1 INHIBITORS OF FOCAL ADHESION KINASE PTK2, CABLES1, TNK2 KDM4E 1164/4885ALDH1A1 1557/4885MAPT 2341/4885

“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.

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