SCHEMBL26598946

SCHEMBL26598946

Clc1nc(-c2ccc[nH]2)nc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METAP1 P53582 1/20 0.51
▸ ABCG2 Q9UNQ0 4/20 0.50
▸ ABCB1 P08183 3/20 0.50
▸ ABCC1 P33527 2/20 0.47
▸ MAOA P21397 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ PDE4A P27815 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ PDE4C Q08493 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ TDP1 Q9NUW8 2/20 0.36
▸ CYP1A2 P05177 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ ACP1 P24666 1/20 0.34

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
SCHEMBL1084250 0.76 CYP2D6 (0.57) ABCG2ABCB1ABCC1TDP1CYP1A2
SCHEMBL16404333 0.74 METAP1 (0.61) METAP1ABCG2MAOAMAOBCYP1A2
SCHEMBL384799 0.74 METAP1 (0.61) METAP1ABCG2MAOAMAOBACP1
SCHEMBL4496945 0.73 NPC1 (0.49) METAP1CYP1A2CYP2C9CYP2C19MEN1
SCHEMBL3461416 0.72 MAPT (0.59) METAP1ABCG2MAPK1PDE5AMEN1
SCHEMBL23723282 0.72 METAP1 (0.50) METAP1ABCG2MAOAMAOBPDE4A
SCHEMBL7431547 0.72 PDE5A (0.66) ABCG2ABCB1CYP1A2CYP3A4CYP2D6
SCHEMBL9719995 0.72 ABCB1 (0.42) ABCG2ABCB1ABCC1TDP1HSD17B10
SCHEMBL25463096 0.72 MEN1 (0.57) METAP1ABCG2CYP1A2ACP1PDE5A
SCHEMBL17275213 0.72 METAP1 (0.57) METAP1ABCG2CYP1A2ACP1PDE5A

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
US-20230339866-A1 Quinazoline compounds and the use thereof in the treatment of cancer TroBio Therapeutics Pty Ltd (AU) 2023-10-26 — — US disclosed
EP-4100395-A1 QUINAZOLINE COMPOUNDS AND THE USE THEREOF IN THE TREATMENT OF CANCER Trobio Therapeutics Pty Ltd (AU) 2022-12-14 — — 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 (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-20230339866-A1 Quinazoline compounds and the use thereof in the treatment of cancer NQO2, TP53, ABL1 METAP1 3734/4885ABCG2 147/4885ABCB1 99/4885

“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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