SCHEMBL2749765

SCHEMBL2749765

COC(=O)C(C)n1cc(I)cn1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.35
RXFP1 Q9HBX9 2/20 0.34
RECQL P46063 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
IDH1 O75874 1/20 0.31
IDH2 P48735 1/20 0.31
CCNT1 O60563 1/20 0.31
CDK9 P50750 1/20 0.31
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL29587561 1.00 ACHE (0.35) ACHERXFP1RECQLNPC1RAB9A
SCHEMBL25027331 0.84 KDM4E (0.36) ACHENPC1RAB9ASMN1; SMN2IDH1
SCHEMBL14958568 0.83 NPC1 (0.36) ACHERXFP1RECQLNPC1RAB9A
SCHEMBL25027007 0.81 ALDH1A1 (0.37) ACHERXFP1RECQLNPC1RAB9A
SCHEMBL22531284 0.81 ALDH1A1 (0.40) ACHERXFP1ALDH1A1
SCHEMBL22531282 0.81 ALDH1A1 (0.40) ACHERXFP1ALDH1A1
SCHEMBL16584237 0.80 KDM4E (0.38) ACHERECQLNPC1RAB9AALDH1A1
SCHEMBL16051035 0.80 ACHE (0.35) ACHERXFP1RECQLNPC1RAB9A
SCHEMBL1581745 0.80 ELANE (0.36) ACHERXFP1RECQLNPC1RAB9A
SCHEMBL12993521 0.80 ELANE (0.36) ACHERXFP1RECQLNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118475567-A Heterocyclic derivative, composition and pharmaceutical application thereof 西藏海思科制药有限公司 2024-08-09 CN disclosed
EP-4385985-A1 HETEROCYCLIC DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL USE THEREOF Xizang Haisco Pharmaceutical Co., Ltd. (CN) 2024-06-19 EP disclosed
WO-2023016518-A1 HETEROCYCLIC DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL USE THEREOF 四川海思科制药有限公司 2023-02-16 WO disclosed
WO-2023016518-A1 HETEROCYCLIC DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL USE THEREOF 四川海思科制药有限公司 2023-02-16 WO 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 ACHE 4248/4885RXFP1 2113/4885RECQL 2738/4885

“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.