SCHEMBL16523087

SCHEMBL16523087

[2H]c1cnc2ccc(Nc3ccccc3)nc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 5/20 0.56
▸ PDGFRA P16234 5/20 0.56
▸ RAB9A P51151 3/20 0.47
▸ MAPT P10636 2/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ AURKA O14965 2/20 0.47
▸ CHEK1 O14757 1/20 0.47
▸ IKBKB O14920 1/20 0.47
▸ PDPK1 O15530 1/20 0.47
▸ CHEK2 O96017 1/20 0.47
▸ PRKCG P05129 1/20 0.47
▸ CDK1 P06493 1/20 0.47
▸ LYN P07948 1/20 0.47
▸ KIT P10721 1/20 0.47
▸ PIM1 P11309 1/20 0.47
▸ FGFR1 P11362 1/20 0.47
▸ FGFR3 P22607 1/20 0.47
▸ RPS6KB1 P23443 1/20 0.47
▸ CDK2 P24941 1/20 0.47
▸ MARK3 P27448 1/20 0.47

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
SCHEMBL27956694 0.85 PDGFRB (0.66) PDGFRBPDGFRARAB9AMAPTNPC1
SCHEMBL16125092 0.76 AURKA (0.46) PDGFRBPDGFRARAB9AMAPTNPC1
SCHEMBL20305884 0.75 MAPT (0.52) PDGFRBPDGFRARAB9AMAPTNPC1
SCHEMBL16132944 0.74 ALDH1A1 (0.49) RAB9AMAPTNPC1MAPK1MEN1
SCHEMBL27100335 0.73 PDGFRB (0.50) PDGFRBPDGFRARAB9AMAPTNPC1
SCHEMBL8610333 0.72 PDGFRB (1.00) PDGFRBPDGFRARAB9AMAPTNPC1
SCHEMBL18768864 0.70 PDGFRB (0.58) PDGFRBPDGFRARAB9AMAPTNPC1
SCHEMBL396525 0.70 NCF1 (0.61) PDGFRBPDGFRARAB9AMAPTNPC1
SCHEMBL29833517 0.70 NCF1 (0.61) PDGFRBPDGFRARAB9AMAPTNPC1
SCHEMBL17694742 0.68 ALDH1A1 (0.38) MAPTMEN1KMT2AALDH1A1

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-9757364-B2 Naphthyridine derivative compounds ASTEX THERAPEUTICS LTD (GB) 2017-09-12 — — US disclosed
US-20170105978-A1 NEW COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2017-04-20 — — US disclosed
US-9527844-B2 Naphthyridine derivative compounds ASTEX THERAPEUTICS LIMITED (GB) 2016-12-27 — — US disclosed
US-9309241-B2 Naphthyridine derivative compounds ASTEX THERAPEUTICS LTD (GB) 2016-04-12 — — US disclosed
US-20150057293-A1 NEW COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2015-02-26 — — 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 (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-20150057293-A1 NEW COMPOUNDS NQO1, NTPCR, NDC1 PDGFRB 3569/4885PDGFRA 3281/4885RAB9A 781/4885
US-20170105978-A1 NEW COMPOUNDS NQO1, NTPCR, NDC1 PDGFRB 3569/4885PDGFRA 3281/4885RAB9A 781/4885

“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.

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