SCHEMBL18360739

SCHEMBL18360739

C=NNc1ncncc1C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 14/20 0.39
▸ CYP1A2 P05177 12/20 0.39
▸ CYP2D6 P10635 9/20 0.39
▸ CYP2C19 P33261 7/20 0.36
▸ TSHR P16473 7/20 0.36
▸ HSD17B10 Q99714 7/20 0.36
▸ ALOX15 P16050 6/20 0.36
▸ ALDH1A1 P00352 5/20 0.33
▸ CYP2C9 P11712 3/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ MAPK1 P28482 3/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CLK4 Q9HAZ1 1/20 0.31

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
SCHEMBL13225322 0.74 — —
SCHEMBL27953451 0.72 — —
SCHEMBL16091003 0.69 KDM4E (0.42) CYP3A4CYP1A2CYP2D6CYP2C19TSHR
SCHEMBL18649619 0.68 CYP1A2 (0.40) CYP3A4CYP1A2CYP2D6CYP2C19TSHR
SCHEMBL11287500 0.68 CYP3A4 (0.39) CYP3A4CYP1A2CYP2D6CYP2C19TSHR
SCHEMBL26958759 0.68 CYP1A2 (0.39) CYP3A4CYP1A2CYP2D6CYP2C19TSHR
SCHEMBL29607566 0.65 CRHR1 (0.39) CYP3A4CYP1A2CYP2D6CYP2C19TSHR
SCHEMBL31016065 0.65 CYP1A2 (0.69) CYP3A4CYP1A2CYP2D6CYP2C19TSHR
SCHEMBL18708803 0.65 CYP1A2 (0.34) CYP3A4CYP1A2CYP2D6CYP2C19TSHR
SCHEMBL23472180 0.64 ALDH1A1 (0.43) CYP3A4CYP1A2CYP2D6CYP2C19TSHR

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
EP-4273136-A1 NITROGEN-CONTAINING BRIDGED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF Jiangsu Hengrui Pharmaceuticals Co., Ltd. (CN) 2023-11-08 — — EP disclosed
EP-3317273-B1 INHIBITORS OF EGFR AND METHODS OF USE THEREOF DANA FARBER CANCER INST INC (US) 2021-12-29 — — EP disclosed
EP-3445357-B1 BIFUNCTIONAL MOLECULES FOR DEGRADATION OF EGFR AND METHODS OF USE DANA FARBER CANCER INST INC (US) 2021-05-26 — — EP disclosed
US-10450310-B2 Bifunctional molecules for degradation of EGFR and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-10-22 — — US disclosed
US-20190106417-A1 BIFUNCTIONAL MOLECULES FOR DEGRADATION OF EGFR AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-04-11 — — US disclosed
WO-2017004383-A1 INHIBITORS OF EGFR AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-01-05 — — 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-20190106417-A1 BIFUNCTIONAL MOLECULES FOR DEGRADATION OF EGFR AND METHODS OF USE EGFR, ERBB2, ERBB3 CYP3A4 4486/4885CYP1A2 3906/4885CYP2D6 4047/4885
US-10450310-B2 Bifunctional molecules for degradation of EGFR and methods of use EGFR, ERBB2, ERBB3 CYP3A4 4486/4885CYP1A2 3906/4885CYP2D6 4047/4885

“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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