SCHEMBL2749682

SCHEMBL2749682

Brc1ccc2sc(I)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.49
PPARA Q07869 2/20 0.44
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
ADORA1 P30542 1/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
TUBA1C Q9BQE3 1/20 0.40
TUBB6 Q9BUF5 1/20 0.40

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
SCHEMBL31506530 1.00 DYRK1A (0.49) DYRK1APPARAMGAMGAASI
SCHEMBL9883331 0.84 RAB9A (0.51) DYRK1APPARAHTTCYP1A2CYP2C19
SCHEMBL17836733 0.81 DYRK1A (0.53) DYRK1APPARAMGAMGAASI
SCHEMBL26031544 0.79 APP (0.36) DYRK1AGAANPC1MAPTRAB9A
Iodomethane SCHEMBL27623269 0.77 SMN1; SMN2 (0.53) DYRK1APPARAGAAADORA1TUBB4A
SCHEMBL2749398 0.76 SMN1; SMN2 (0.51) DYRK1AGAAHTTCYP1A2NPC1
SCHEMBL15088418 0.76 SMN1; SMN2 (0.56) PPARAMGAMGAASIMGAM2
SCHEMBL21412413 0.76 CA2 (0.53) DYRK1AGAAHTTNPC1MAPT
SCHEMBL3662308 0.76 DYRK1A (0.49) DYRK1APPARAMGAMGAASI
SCHEMBL2749149 0.76 DYRK1A (0.49) DYRK1ANPC1MAPTRAB9AALDH1A1

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
CN-116731038-A Nitrogen-containing heterocyclic compound, and preparation method and application thereof 苏州亚盛药业有限公司 2023-09-12 CN disclosed
US-8178668-B2 2-aminopyridine kinase inhibitors OSI Pharmaceuticals, LLC (US) 2012-05-15 US disclosed
EP-2265270-A1 2-AMINOPYRIDINE KINASE INHIBITORS OSI Pharmaceuticals, Inc. (US) 2010-12-29 EP disclosed
WO-2009099982-A1 2-AMINOPYRIDINE KINASE INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2009-08-13 WO disclosed
US-20090197862-A1 2-AMINOPYRIDINE KINASE INHIBITORS OSI PHARMACEUTICALS, INC. 2009-08-06 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 (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-20090197862-A1 2-AMINOPYRIDINE KINASE INHIBITORS ERBB2, ABL2, TIE1 DYRK1A 596/4885PPARA 3386/4885MGAM 4245/4885

“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.