SCHEMBL3726581

SCHEMBL3726581

O=c1ccc2ccccc2n1NCc1cccnc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.45
CYP1A2 P05177 3/20 0.45
CYP2D6 P10635 1/20 0.45
LTA4H P09960 1/20 0.43
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 1/20 0.42
RECQL P46063 1/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
APAF1 O14727 1/20 0.40
HK1 P19367 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
HKDC1 Q2TB90 1/20 0.40
HPGD P15428 1/20 0.40
NTRK1 P04629 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL3733823 0.87 MKNK1 (0.44) IDO1CYP1A2CYP2D6KDM4ESMN1; SMN2
SCHEMBL3735606 0.85 ALDH1A1 (0.40) ALDH1A1HSD17B10TSHRSMN1; SMN2KMT2A
SCHEMBL1054259 0.80 NTRK1 (0.42) IDO1CYP1A2ALDH1A1CYP3A4CYP2C9
SCHEMBL3728484 0.75 SMN1; SMN2 (0.43) KDM4EALDH1A1HSD17B10SMN1; SMN2RAB9A
SCHEMBL27625120 0.73 CYP1A2 (0.49) IDO1CYP1A2CYP2D6LTA4HKDM4E
SCHEMBL3737684 0.73 CA12 (0.53) KDM4EALDH1A1HSD17B10TSHRSMN1; SMN2
SCHEMBL1055564 0.72 NTRK1 (0.44) ALDH1A1RAB9AKMT2ANTRK1CYP2C19
SCHEMBL1052536 0.71 KAT2B (0.47) CYP1A2KDM4EALDH1A1CYP3A4SMN1; SMN2
SCHEMBL17910185 0.70 CDK4 (0.39) CYP2D6CYP3A4RAB9ALMNA
SCHEMBL3734543 0.69 CA12 (0.39) KDM4EALDH1A1HSD17B10TSHRSMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825132-B2 Inhibition of FGFR3 and treatment of multiple myeloma NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-11-02 US disclosed
US-20090281100-A1 Benzimidazole quinolinones and uses thereof BARSANTI PAUL A 2009-11-12 US disclosed
US-7470709-B2 Benzimidazole quinolinones and uses thereof NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-12-30 US disclosed
US-20050261307-A1 Inhibition of FGFR3 and treatment of multiple myeloma CHIRON CORPORATION 2005-11-24 US disclosed
US-20050256157-A1 Combination therapy with CHK1 inhibitors CHIRON CORPORATION 2005-11-17 US disclosed
US-20050203101-A1 Benzimidazole quinolinones and uses thereof CHIRON CORPORATION 2005-09-15 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 (4 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-20050256157-A1 Combination therapy with CHK1 inhibitors CHEK1, CHEK2, RAD1 IDO1 2531/4885CYP1A2 4708/4885CYP2D6 4651/4885
US-20050261307-A1 Inhibition of FGFR3 and treatment of multiple myeloma FGFR3, FGFR1, FGFR2 IDO1 3670/4885CYP1A2 4862/4885CYP2D6 4838/4885
US-20090281100-A1 Benzimidazole quinolinones and uses thereof GAA, ALPI, IL4I1 IDO1 453/4885CYP1A2 207/4885CYP2D6 199/4885
US-20050203101-A1 Benzimidazole quinolinones and uses thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TP53, PBRM1 IDO1 2835/4885CYP1A2 1945/4885CYP2D6 1660/4885

“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.