SCHEMBL10138682

SCHEMBL10138682

O=[N+]([O-])c1ccc(N2CC3CC2CN3)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 10/20 0.66
CHRNA4 P43681 10/20 0.66
CHRNB4 P30926 1/20 0.50
CHRNA3 P32297 1/20 0.50

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
SCHEMBL1891858 1.00 CHRNB2 (0.66) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL30984798 1.00 CHRNB2 (0.66) CHRNB2CHRNA4CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL2716547 0.99 CHRNB2 (0.64) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5034085 0.80 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5043506 0.80 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL13589901 0.79 CHRNB2 (0.68) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL26288696 0.79 CHRNB2 (0.68) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5497908 0.79 CHRNB2 (0.68) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL26769872 0.79 CHRNB2 (0.58) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL4514914 0.78 CHRNB2 (0.56) CHRNB2CHRNA4CHRNB4CHRNA3

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-4259145-A1 ALK-5 INHIBITORS AND USES THEREOF Sumitomo Pharma Oncology, Inc. (US) 2023-10-18 EP disclosed
US-11746103-B2 ALK-5 inhibitors and uses thereof SUMITOMO PHARMA ONCOLOGY, INC. (US) 2023-09-05 US disclosed
US-11746103-B2 ALK-5 inhibitors and uses thereof SUMITOMO PHARMA ONCOLOGY, INC. (US) 2023-09-05 US disclosed
CN-116546986-A ALK-5 inhibitors and uses thereof 住友制药肿瘤公司 2023-08-04 CN disclosed
US-20220315563-A1 ALK-5 INHIBITORS AND USES THEREOF SUMITOMO PHARMA ONCOLOGY, INC. 2022-10-06 US disclosed
WO-2022126133-A1 ALK-5 INHIBITORS AND USES THEREOF SUMITOMO PHARMA ONCOLOGY,INC. (US) 2022-06-16 WO disclosed
WO-2012059932-A1 2, 4 -DIAMINOPYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-05-10 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-20220315563-A1 ALK-5 INHIBITORS AND USES THEREOF ACVR1, ALK, ACVRL1 CHRNB2 2406/4885CHRNA4 1930/4885CHRNB4 1692/4885
US-11746103-B2 ALK-5 inhibitors and uses thereof ACVR1, ALK, ACVRL1 CHRNB2 2406/4885CHRNA4 1930/4885CHRNB4 1692/4885

“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.