SCHEMBL4854979

SCHEMBL4854979

CCc1ccc(N=C(N)c2cccnc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.51
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
QRFPR Q96P65 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 1/20 0.45
TRPV1 Q8NER1 1/20 0.45
NOS3 P29474 2/20 0.44
NOS1 P29475 2/20 0.44
NOS2 P35228 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL455629 0.81 KMT2A (0.66) RAB9ANPC1SMN1; SMN2CYP2D6MEN1
SCHEMBL4856204 0.80 KMT2A (0.48) PLAUQRFPRMEN1POLBKMT2A
Hydrochloric Acid SCHEMBL11772966 0.80 MEN1 (0.63) PLAUSMN1; SMN2QRFPRCYP2D6MEN1
SCHEMBL4863537 0.79 KMT2A (0.55) RAB9AQRFPRKMT2ANOS3ALDH1A1
SCHEMBL5594822 0.77 MEN1 (0.50) QRFPRMEN1POLBKMT2AALDH1A1
SCHEMBL4855919 0.77 QRFPR (0.48) RAB9ANPC1SMN1; SMN2QRFPRMEN1
SCHEMBL5056593 0.76 CYP3A4 (0.54) RAB9ACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL22281477 0.76 CYP3A4 (0.54) RAB9ACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL27764447 0.73 F7 (0.59) RAB9ANPC1SMN1; SMN2MEN1POLB
SCHEMBL834568 0.73 F7 (0.59) RAB9ANPC1SMN1; SMN2MEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365069-B2 Pyrimidone derivatives BEXEL PHARMACEUTICALS INC. (US) 2008-04-29 US disclosed
US-7365069-B2 Pyrimidone derivatives BEXEL PHARMACEUTICALS INC. (US) 2008-04-29 US disclosed
US-7365069-B2 Pyrimidone derivatives BEXEL PHARMACEUTICALS INC. (US) 2008-04-29 US disclosed
US-20040259891-A1 Novel pyrimidon derivatives ORCHID CHEMICAL & PHARMACEUTICALS LIMITED (IN) 2004-12-23 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-20040259891-A1 Novel pyrimidon derivatives TYMS, TPMT, TYMP PLAU 2177/4885RAB9A 2079/4885NPC1 1563/4885

“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.