SCHEMBL7809472

SCHEMBL7809472

c1cncc(Cn2ccc3ccccc32)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.60
HTR6 P50406 2/20 0.55
CDK4 P11802 4/20 0.50
CCND1 P24385 4/20 0.50
GUSB P08236 1/20 0.49
PLAU P00749 1/20 0.49
CYP11B1 P15538 1/20 0.49
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
CHRNB2 P17787 1/20 0.46
CHRNA4 P43681 1/20 0.46
APP P05067 1/20 0.45
SNCA P37840 1/20 0.45
GABRA1 P14867 1/20 0.45
GABRA5 P31644 1/20 0.45
KDM4E B2RXH2 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
SCHEMBL3177815 0.81 HTR6 (0.65) KMT2AHTR6CDK4CCND1PLAU
SCHEMBL916458 0.81 HTR6 (0.51) KMT2AHTR6PLAUCYP11B1CHRNB2
SCHEMBL7084091 0.81 PLAU (0.50) HTR6PLAUCYP11B1GRIN2B
SCHEMBL694100 0.81 CYP11B1 (0.43) KMT2AHTR6GUSBCYP11B1CHRNB2
SCHEMBL31661458 0.81 PLAU (0.50) HTR6PLAUCYP11B1GRIN2B
SCHEMBL29509279 0.81 HTR6 (0.73) KMT2AHTR6CDK4CCND1PLAU
SCHEMBL31021 0.81 HTR6 (0.73) KMT2AHTR6CDK4CCND1PLAU
SCHEMBL6696139 0.81 KMT2A (0.53) KMT2AHTR6PLAUCYP11B1HDAC1
SCHEMBL29643774 0.79 PTK2 (0.49) KMT2ACYP11B1CHRNB2CHRNA4GABRA5
SCHEMBL26703942 0.79 HTR6 (0.58) KMT2AHTR6KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10815218-B2 Benzoimidazole derivatives as PAD4 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-10-27 US disclosed
US-10407407-B2 Benzoimidazole derivatives as PAD4 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-09-10 US disclosed
EP-0949259-B1 N-HYDROXYUREA DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME NIKKEN CHEMICALS CO LTD (JP) 2001-06-20 EP disclosed
US-6184238-B1 ANTIALLERGENS, ANTIINFLAMMATORY AGENTS NIKKEN CHEMICALS CO., LTD. (JP) 2001-02-06 US disclosed
EP-0949259-A1 N-HYDROXYUREA DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Nikken Chemicals Company, Limited (JP) 1999-10-13 EP 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-10407407-B2 Benzoimidazole derivatives as PAD4 inhibitors PADI4, PADI1, PADI2 KMT2A 1974/4885HTR6 4587/4885CDK4 142/4885
US-10815218-B2 Benzoimidazole derivatives as PAD4 inhibitors PADI4, PADI1, PADI2 KMT2A 1974/4885HTR6 4587/4885CDK4 142/4885

“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.