SCHEMBL19089524

SCHEMBL19089524

Cc1cc(CNN)nn1C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.48
BCHE P06276 1/20 0.46
ALDH1A1 P00352 6/20 0.43
HPGD P15428 2/20 0.43
CYP3A4 P08684 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 3/20 0.43
ALOX15 P16050 1/20 0.43
KDM4E B2RXH2 3/20 0.41
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
BAZ2B Q9UIF8 1/20 0.38
POLB P06746 2/20 0.36
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL2237134 0.82 BCHE (0.47) HTTBCHEALDH1A1HPGDCYP3A4
SCHEMBL22245536 0.78 BCHE (0.45) HTTBCHEALDH1A1HPGDCYP3A4
SCHEMBL2264189 0.78 ALDH1A1 (0.48) HTTBCHEALDH1A1HPGDCYP3A4
SCHEMBL13090080 0.77 BCHE (0.44) HTTBCHEALDH1A1HPGDCYP3A4
SCHEMBL597466 0.77
SCHEMBL3304141 0.76 HTT (0.45) HTTBCHEALDH1A1HPGDCYP3A4
SCHEMBL2755869 0.76 ALDH1A1 (0.60) HTTBCHEALDH1A1HPGDCYP3A4
Hydrochloric Acid SCHEMBL3491834 0.75 BCHE (0.49) HTTBCHEALDH1A1HPGDCYP3A4
SCHEMBL256103 0.74
SCHEMBL13227370 0.72

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-10280176-B2 Pyrazolo-quinazoline derivatives, process for their preparation and their use as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2019-05-07 US disclosed
US-20170190714-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2017-07-06 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-10280176-B2 Pyrazolo-quinazoline derivatives, process for their preparation and their use as kinase inhibitors MAP3K5, MAP3K9, MAP4K2 HTT 4489/4885BCHE 2701/4885ALDH1A1 3106/4885
US-20170190714-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS MAP3K5, MAP3K9, MAP4K2 HTT 4489/4885BCHE 2701/4885ALDH1A1 3106/4885

“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.