SCHEMBL18843541

SCHEMBL18843541

COc1cc(N2CCC(N(C)C)CC2)c(C)cc1Nc1ncc(OC(F)F)c(Nc2ccccc2S(=O)(=O)C(C)C)n1

nearest known ligand 0.83

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 19/20 0.83
▸ INSR P06213 6/20 0.56
▸ KCNH2 Q12809 1/20 0.53
▸ ZAP70 P43403 1/20 0.52

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
SCHEMBL18843554 0.91 ALK (1.00) ALKINSRKCNH2ZAP70
SCHEMBL18843508 0.89 ALK (0.67) ALKINSRKCNH2
SCHEMBL18843551 0.89 ALK (0.79) ALKINSRZAP70
SCHEMBL18843542 0.86 ALK (0.74) ALKINSRZAP70
SCHEMBL18843552 0.84 ALK (0.72) ALKINSRZAP70
SCHEMBL22166561 0.84 ALK (0.68) ALKINSRKCNH2ZAP70
SCHEMBL18843548 0.84 ALK (1.00) ALKZAP70
SCHEMBL18843540 0.80 ALK (0.82) ALKINSRZAP70
SCHEMBL18843553 0.80 ALK (0.81) ALK
SCHEMBL18843489 0.78 ZAP70 (0.82) ALKINSRZAP70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3372594-B1 PYRIMIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER HUMANWELL HEALTHCARE GROUP CO LTD (CN) 2021-07-21 — — EP disclosed
EP-3372594-B1 PYRIMIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER HUMANWELL HEALTHCARE GROUP CO LTD (CN) 2021-07-21 — — EP disclosed
US-10695347-B2 Pyrimidine derivative and use thereof HUBEI BIO-PHARMACEUTICAL INDUSTRIAL TECHNOLOGICAL INSTITUTE, INC. (CN) 2020-06-30 — — US disclosed
US-10695347-B2 Pyrimidine derivative and use thereof HUBEI BIO-PHARMACEUTICAL INDUSTRIAL TECHNOLOGICAL INSTITUTE, INC. (CN) 2020-06-30 — — US disclosed
US-20180338973-A1 PYRIMIDINE DERIVATIVE AND USE THEREOF HUBEI BIO-PHARMACEUTICAL INDUSTRIAL TECHNOLOGICAL INSTITUTE, INC. (CN) 2018-11-29 — — US disclosed
EP-3372594-A1 PYRIMIDINE DERIVATIVE AND USE THEREOF Humanwell Healthcare (Group) Co., Ltd. (CN) 2018-09-12 — — EP disclosed
WO-2017076355-A1 PYRIMIDINE DERIVATIVE AND USE THEREOF 湖北生物医药产业技术研究院有限公司 2017-05-11 — — WO 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-20180338973-A1 PYRIMIDINE DERIVATIVE AND USE THEREOF ALK, DPYD, TYMP ALK 1/4885INSR 992/4885KCNH2 1598/4885
US-10695347-B2 Pyrimidine derivative and use thereof ALK, DPYD, TYMP ALK 1/4885INSR 992/4885KCNH2 1598/4885

“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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