SCHEMBL3026523

SCHEMBL3026523

c1ccc(Nc2nc3cncnc3[nH]2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
PIM1 P11309 1/20 0.42
RIPK1 Q13546 1/20 0.42
TAAR1 Q96RJ0 3/20 0.41
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
TSHR P16473 1/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 1/20 0.40
GFER P55789 1/20 0.40
BCL6 P41182 1/20 0.39
AKR1C3 P42330 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 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
Hydrochloric Acid SCHEMBL7659957 0.82 EGFR (0.44) PDGFRBPDGFRAGAAMAPTEGFR
SCHEMBL3016796 0.79 ROCK1 (0.48) PIM1PDGFRBMAPK1CSNK1A1CSNK1D
SCHEMBL985990 0.78 MEN1 (0.50) MEN1KMT2APIM1RIPK1TAAR1
SCHEMBL3014786 0.78 SYK (0.47) MEN1KMT2ACYP3A4TSHRMAPT
SCHEMBL5934943 0.77 RAB9A (0.57) MEN1KMT2APIM1CYP1A2CYP3A4
SCHEMBL20096783 0.77 HDAC11 (0.60) MEN1KMT2AGAAMAPTAKR1C3
SCHEMBL2429096 0.76 METAP2 (0.49) MEN1KMT2APIM1RIPK1TAAR1
SCHEMBL20096785 0.76 ROCK1 (0.51) MEN1KMT2ATSHRGAAMAPT
SCHEMBL9654498 0.74 EGFR (0.40) CYP1A2CYP3A4CYP2D6EGFR
SCHEMBL5914424 0.73 KDM4C (0.49) MEN1KMT2ACYP3A4GAAMAPT

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-20100204187-A1 Purine Derivatives PALAU PHARMA, S.A. (ES) 2010-08-12 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-20100204187-A1 Purine Derivatives JAK3, JAK1, JAK2 MEN1 3520/4885KMT2A 2127/4885PIM1 344/4885

“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.