SCHEMBL24450229

SCHEMBL24450229

CC(Nc1cncc(Br)c1)c1cccnc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.63
▸ CSF1R P07333 3/20 0.52
▸ HTR7 P34969 4/20 0.45
▸ CFTR P13569 2/20 0.43
▸ GOPC Q9HD26 2/20 0.43
▸ POLB P06746 1/20 0.41
▸ P2RX4 Q99571 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ ADRA1D P25100 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ ADRA1B P35368 1/20 0.39
▸ LRRK2 Q5S007 2/20 0.39
▸ VNN1 O95497 1/20 0.39
▸ CYP2C9 P11712 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38

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
SCHEMBL22191310 0.86 HTR7 (0.58) KDM4ECSF1RHTR7GAAADRA1D
SCHEMBL19447231 0.80 CSF1R (0.61) KDM4ECSF1RHTR7GAAADRA1D
SCHEMBL31285576 0.78 KDM4E (1.00) KDM4EHTR7CFTRGOPCGAA
SCHEMBL8877012 0.78 KDM4E (1.00) KDM4EHTR7CFTRGOPCGAA
SCHEMBL1713363 0.77 CSF1R (0.50) KDM4ECSF1RHTR7GAAADRA1D
SCHEMBL31285656 0.74 KDM4E (0.81) KDM4EHTR7CFTRGOPCGAA
SCHEMBL10558458 0.74 KDM4E (0.73) KDM4EGAACYP3A4CYP2C19
SCHEMBL6000027 0.74 KDM4E (0.73) KDM4EHTR7CFTRGOPCPOLB
SCHEMBL1558215 0.73 CSF1R (0.41) KDM4ECSF1RPOLBGAA
SCHEMBL16041507 0.73 KDM4E (0.51) KDM4ELRRK2VNN1PFKFB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220162182-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-05-26 — — 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-20220162182-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE MAP3K20, MAP3K1, PACSIN2 KDM4E 2309/4885CSF1R 2794/4885HTR7 1352/4885

“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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