SCHEMBL16009643

SCHEMBL16009643

Nc1ccc2nc(-c3ccc4ccccc4c3)cn2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.47
ALDH1A1 P00352 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 2/20 0.45
AR P10275 1/20 0.45
MAPT P10636 1/20 0.45
NFKB1 P19838 1/20 0.45
GFER P55789 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
CYP1A1 P04798 1/20 0.45
CYP1B1 Q16678 1/20 0.45
PIM1 P11309 2/20 0.41
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL10284772 0.79 APP (0.47) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL2536912 0.77 RAB9A (0.48) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL18613326 0.77 ALDH1A3 (0.56) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL16011952 0.74 APP (0.44) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL2540334 0.74 APP (0.42) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL6812527 0.73 ALDH1A1 (0.66) CYP1A2ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL3356308 0.72 PDE10A (0.38) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL5378063 0.71 APP (0.40) ALDH1A1NPC1SMN1; SMN2KDM4EMAPT
SCHEMBL1691846 0.70 NPC1 (0.68) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL13579042 0.70 KDM4E (0.51) CYP1A2ALDH1A1NPC1RAB9ASMN1; SMN2

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
US-20160228437-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS Califia Bio, Inc. 2016-08-11 US disclosed
US-9370515-B2 Mixed lineage kinase inhibitors and method of treatments Califia Bio, Inc. (US) 2016-06-21 US disclosed
US-20140256733-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS Califia Bio, Inc. (US) 2014-09-11 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-20160228437-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS MAP3K2, MAP3K1, MAP3K20 CYP1A2 3032/4885ALDH1A1 3770/4885NPC1 3185/4885
US-20140256733-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS MAP3K2, MAP3K1, MAP3K20 CYP1A2 3032/4885ALDH1A1 3770/4885NPC1 3185/4885

“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.