SCHEMBL13856217

SCHEMBL13856217

Cc1cc(C)nc(NC(=N)Nc2cccc(N)c2)n1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NR4A1 P22736 1/20 0.57
▸ ALDH1A1 P00352 4/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ DDX3X O00571 2/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CRHBP P24387 1/20 0.42
▸ CRHR2 Q13324 1/20 0.42
▸ RAD52 P43351 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ RAPGEF4 Q8WZA2 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ BLK P51451 1/20 0.38
▸ LMNA P02545 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
SCHEMBL5922913 0.85 CYP1A2 (0.54) ALDH1A1RAB9ASMN1; SMN2KMT2APOLB
SCHEMBL13856226 0.84 SMN1; SMN2 (0.50) ALDH1A1RAB9ASMN1; SMN2KMT2ACRHBP
SCHEMBL5923163 0.81 RAB9A (0.52) ALDH1A1RAB9ASMN1; SMN2KMT2APOLB
SCHEMBL5923530 0.80 RAB9A (0.44) NR4A1ALDH1A1RAB9AKMT2APOLB
SCHEMBL14861785 0.80 GAA (0.46) ALDH1A1RAB9ASMN1; SMN2KMT2APOLB
SCHEMBL5923055 0.78 RAB9A (0.49) ALDH1A1RAB9ASMN1; SMN2KMT2APOLB
SCHEMBL5923599 0.78 ALDH1A1 (0.49) ALDH1A1RAB9ASMN1; SMN2KMT2APOLB
SCHEMBL5923308 0.78 RAB9A (0.48) ALDH1A1RAB9ASMN1; SMN2KMT2APOLB
SCHEMBL20057674 0.77 DDX3X (0.58) NR4A1ALDH1A1RAB9ADDX3XSMN1; SMN2
SCHEMBL5923368 0.76 CRHBP (0.50) ALDH1A1RAB9ASMN1; SMN2KMT2ACRHBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118135-A1 METHODS AND COMPOUNDS FOR REGULATING APOPTOSIS THE BURNHAM INSTITUTE (US) 2009-05-07 — — US disclosed
US-20090118135-A1 METHODS AND COMPOUNDS FOR REGULATING APOPTOSIS THE BURNHAM INSTITUTE (US) 2009-05-07 — — 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-20090118135-A1 METHODS AND COMPOUNDS FOR REGULATING APOPTOSIS BCL2, BAX, BAD NR4A1 4082/4885ALDH1A1 3724/4885RAB9A 3519/4885

“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.

Send feedback