SCHEMBL617698

SCHEMBL617698

COc1cc(OC)c2cnc(-c3ccc(CN4CCN(C)CC4)cc3)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 2/20 0.49
MAP3K11 Q16584 1/20 0.48
TGFBR1 P36897 1/20 0.48
ACVR1 Q04771 1/20 0.48
MAP4K1 Q92918 1/20 0.47
SRC P12931 5/20 0.45
FYN P06241 1/20 0.45
MELK Q14680 2/20 0.43
FGFR1 P11362 1/20 0.42
FGFR4 P22455 1/20 0.42
KDR P35968 1/20 0.42
PDE4D Q08499 1/20 0.42
PDE1B Q01064 1/20 0.42
ABL1 P00519 1/20 0.41
ABL2 P42684 1/20 0.41
HTR1A P08908 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
ACP1 P24666 1/20 0.41
ABCB1 P08183 1/20 0.41

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
SCHEMBL619091 0.92 SRC (0.45) MAP3K11SRCFGFR1ACP1
SCHEMBL618607 0.89 TSHR (0.43) MAP3K11MAP4K1HTR1AHTR1DHTR1B
SCHEMBL15329363 0.89 SMN1; SMN2 (0.51) MAP4K1SRCFYNPDE4DACP1
SCHEMBL619713 0.86 ACHE (0.49) PDE1BHTR1A
SCHEMBL1304390 0.79 PDGFRB (0.51) ABCB1ABCC1ABCG2
SCHEMBL618561 0.79 MAP4K1 (0.49) TGFBR1ACVR1MAP4K1FGFR1FGFR4
SCHEMBL15533402 0.76 ALDH1A1 (0.48)
SCHEMBL346309 0.76 PDGFRB (0.50) KDRABL1ABCB1ABCG2
SCHEMBL15328156 0.75 TGFBR1 (0.54) TGFBR1ACVR1MAP4K1ABL1
SCHEMBL1304918 0.75 MTOR (0.52) TGFBR1ACVR1MAP4K1KDRABL1

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
WO-2013175281-A1 USE OF SUBSTITUTED 2-PHENYL-3H-QUINAZOLIN-4-ONES AND ANALOGS FOR INHIBITING BROMODOMAIN AND EXTRA TERMINAL DOMAIN (BET) PROTEINS RVX THERAPEUTICS INC. (CA) 2013-11-28 WO disclosed
US-20120040954-A1 NOVEL ANTI-INFLAMMATORY AGENTS HEPALINK (HONG KONG) LIMITED (HK) 2012-02-16 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-20120040954-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 CHKA 847/4885MAP3K11 1608/4885TGFBR1 699/4885

“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.