SCHEMBL3365470

SCHEMBL3365470

CN(C)n1ccc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 9/20 0.58
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
CDK4 P11802 4/20 0.45
CCND1 P24385 4/20 0.45
NOTUM Q6P988 1/20 0.44
BIRC5 O15392 1/20 0.38

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
Ethoxycarbonyl Group SCHEMBL27669238 0.80 SLC6A2 (0.43) SLC6A2HTR2AHTR2CCDK4CCND1
SCHEMBL6625810 0.79 SLC6A2 (0.75) SLC6A2HTR2AHTR2CCDK4CCND1
SCHEMBL6005012 0.78 SLC6A2 (0.50) SLC6A2HTR2AHTR2CCDK4CCND1
SCHEMBL6006493 0.78 SLC6A2 (0.50) SLC6A2HTR2AHTR2CCDK4CCND1
SCHEMBL4102885 0.77 SLC6A2 (0.49) SLC6A2HTR2AHTR2CNOTUM
SCHEMBL10975857 0.77 NOTUM (0.53) SLC6A2HTR2AHTR2CCDK4CCND1
SCHEMBL8118593 0.77 SLC6A2 (0.49) SLC6A2HTR2AHTR2CCDK4CCND1
SCHEMBL6624835 0.74 KDM4E (0.42) SLC6A2HTR2AHTR2CBIRC5
SCHEMBL6624855 0.74 SLC6A2 (0.50) SLC6A2HTR2AHTR2CCDK4CCND1
SCHEMBL7615812 0.74 SLC6A2 (1.00) SLC6A2

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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11958850-B2 Heteroaryl compounds for kinase inhibition TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-04-16 US disclosed
US-20230102829-A1 Heteroaryl Compounds For Kinase Inhibition ARIAD PHARMACEUTICALS, INC. 2023-03-30 US disclosed
CN-110526912-B Heteroaryl compounds for kinase inhibition 武田药品工业株式会社 2023-02-14 CN disclosed
EP-3778584-A1 PRODUCTION PROCESS OF 2-CHLORO-4-HETEROARYL-PYRIMIDINE DERIVATIVES ARIAD Pharmaceuticals, Inc. (US) 2021-02-17 EP disclosed
EP-3778584-A1 PRODUCTION PROCESS OF 2-CHLORO-4-HETEROARYL-PYRIMIDINE DERIVATIVES ARIAD Pharmaceuticals, Inc. (US) 2021-02-17 EP disclosed
EP-3409669-B1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMA INC (US) 2020-10-07 EP disclosed
EP-3409669-B1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMA INC (US) 2020-10-07 EP disclosed
US-20190218212-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMACEUTICALS, INC. 2019-07-18 US disclosed
US-20190218212-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMACEUTICALS, INC. 2019-07-18 US disclosed
US-10227342-B2 Heteroaryl compounds for kinase inhibition ARIAD PHARMACEUTICALS, INC. (US) 2019-03-12 US disclosed
EP-0339887-B1 Process for the preparation of indigo compounds MITSUI TOATSU CHEMICALS (JP) 1996-07-10 EP disclosed
EP-0368508-B1 Process for the preparation of indigo compounds MITSUI TOATSU CHEMICALS (JP) 1994-09-14 EP disclosed
US-5187283-A Reacting indole(or derivatives) with organic hydroperoxide in presence of group 4,5 or 6 metals and removing water during reaction MITSUI TOATSU CHEMICALS, INC. (JP) 1993-02-16 US disclosed
EP-0487322-A1 Process for the preparation of indigo compounds MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-05-27 EP disclosed
US-5112987-A Process for the preparation of indigo compounds MITSUI TOATSU CHEMICALS, INC. (JP) 1992-05-12 US disclosed
US-4973706-A OXIDATION OF INDOLE WITH HYDROPEROXIDE MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1990-11-27 US disclosed
CN-1042553-A The preparation method of indigo compound MITSUI TOATSU CHEMICALS (JP) 1990-05-30 CN disclosed
EP-0368508-A2 Process for the preparation of indigo compounds MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-05-16 EP disclosed
CN-1037527-A The preparation method of indigo compound MITSUI TOATSU CHEMICALS (JP) 1989-11-29 CN disclosed
EP-0339887-A1 Process for the preparation of indigo compounds MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-11-02 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 (4 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-20190218212-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ERBB2, EGFR, ERBB3 SLC6A2 4839/4885HTR2A 1220/4885HTR2C 735/4885
US-11958850-B2 Heteroaryl compounds for kinase inhibition ERBB2, EGFR, ERBB3 SLC6A2 4839/4885HTR2A 1220/4885HTR2C 735/4885
US-10227342-B2 Heteroaryl compounds for kinase inhibition ERBB2, EGFR, ERBB3 SLC6A2 4839/4885HTR2A 1220/4885HTR2C 735/4885
US-20230102829-A1 Heteroaryl Compounds For Kinase Inhibition ERBB2, EGFR, ERBB3 SLC6A2 4839/4885HTR2A 1220/4885HTR2C 735/4885

“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.