SCHEMBL12413633

SCHEMBL12413633

CC(C)c1nc(Cl)ncc1Cl

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GLP1R P43220 2/20 0.34
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CSNK1A1 P48729 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
TYRO3 Q06418 1/20 0.31
DYRK1B Q9Y463 1/20 0.31
RPS6KA5 O75582 3/20 0.30
RPS6KA4 O75676 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
SCHEMBL17721726 0.80 GLP1R (0.33) GLP1R
SCHEMBL22930834 0.79 MBOAT4 (0.34) GLP1R
SCHEMBL22964601 0.78 ABL1 (0.37) KDM4ESMN1; SMN2ALDH1A1RPS6KA5
SCHEMBL16248184 0.78 S100A9 (0.33) KDM4ESMN1; SMN2ALDH1A1
SCHEMBL12413632 0.78 SMN1; SMN2 (0.42) KDM4ESMN1; SMN2ALDH1A1RPS6KA5
SCHEMBL20049808 0.78 P2RX3 (0.40)
SCHEMBL1428249 0.70 KDM4E (0.34) KDM4ESMN1; SMN2ALDH1A1CSNK1A1CLK4
SCHEMBL27223922 0.69 NFKB1 (0.39) KDM4ESMN1; SMN2ALDH1A1
SCHEMBL1188746 0.69
SCHEMBL14556309 0.68 ATM (0.36) KDM4ESMN1; SMN2ALDH1A1RPS6KA5RPS6KA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112055711-B Cyclohexylic acid triazolazine as LPA antagonist 百时美施贵宝公司 2024-07-23 CN disclosed
EP-3728223-B1 CYCLOHEXYL ACID TRIAZOLE AZINES AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2022-12-28 EP disclosed
EP-3728223-B1 CYCLOHEXYL ACID TRIAZOLE AZINES AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2022-12-28 EP disclosed
US-11267800-B2 Cyclohexyl acid triazole azines as LPA antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2022-03-08 US disclosed
US-20210230143-A1 CYCLOHEXYL ACID TRIAZOLE AZINES AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2021-07-29 US disclosed
US-20210230143-A1 CYCLOHEXYL ACID TRIAZOLE AZINES AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2021-07-29 US disclosed
EP-3728223-A1 CYCLOHEXYL ACID TRIAZOLE AZINES AS LPA ANTAGONISTS Bristol-Myers Squibb Company (US) 2020-10-28 EP disclosed
US-8293729-B2 Compounds, pharmaceutical composition and methods relating thereto BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-23 US disclosed
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-07 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 (3 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-11267800-B2 Cyclohexyl acid triazole azines as LPA antagonists LPAR3, LPAR1, LPAR2 GLP1R 94/4885KDM4E 3399/4885SMN1; SMN2 4323/4885
US-20210230143-A1 CYCLOHEXYL ACID TRIAZOLE AZINES AS LPA ANTAGONISTS LPAR3, LPAR1, LPAR2 GLP1R 94/4885KDM4E 3399/4885SMN1; SMN2 4323/4885
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO MC2R, REN, CYP11B2 GLP1R 29/4885KDM4E 3718/4885SMN1; SMN2 1994/4885

“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.