SCHEMBL4631312

SCHEMBL4631312

Cc1cc(Cl)nc(-c2cccnc2)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.67
CYP2A6 P11509 7/20 0.50
ALDH1A1 P00352 5/20 0.50
CYP3A4 P08684 2/20 0.50
CYP1A2 P05177 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.48
HPGD P15428 2/20 0.48
TP53 P04637 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
ALOX15 P16050 1/20 0.48
HTT P42858 1/20 0.48
HSD17B10 Q99714 1/20 0.48
KMT2A Q03164 3/20 0.48
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP2E1 P05181 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2B6 P20813 1/20 0.45

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
SCHEMBL16606385 0.88 ALDH1A1 (0.57) LMNACYP2A6ALDH1A1CYP3A4CYP1A2
SCHEMBL4631802 0.88 SMN1; SMN2 (0.57) LMNACYP2A6ALDH1A1CYP3A4CYP1A2
SCHEMBL30579341 0.88 SMN1; SMN2 (0.57) LMNACYP2A6ALDH1A1CYP3A4CYP1A2
SCHEMBL15046260 0.83 CYP2A6 (0.59) LMNACYP2A6ALDH1A1CYP3A4CYP1A2
SCHEMBL25458413 0.81 ALDH1A1 (0.54) LMNACYP2A6ALDH1A1CYP3A4CYP1A2
SCHEMBL1772953 0.80 LMNA (1.00) LMNACYP1A2SMN1; SMN2HPGDKDM4E
SCHEMBL5022892 0.80 ADORA2A (0.51) LMNACYP2A6ALDH1A1CYP3A4CYP1A2
SCHEMBL18104258 0.80 CYP19A1 (0.57) LMNACYP2A6ALDH1A1CYP3A4CYP1A2
SCHEMBL27708210 0.80 ALDH1A1 (0.44) LMNACYP2A6ALDH1A1CYP3A4CYP1A2
SCHEMBL5480432 0.80 KIF11 (0.45) LMNACYP2A6ALDH1A1CYP3A4CYP1A2

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
US-20240174662-A1 SMALL MOLECULE INHIBITORS OF SALT INDUCIBLE KINASES CILAG AG (CH) 2024-05-30 US disclosed
EP-4284802-A1 SMALL MOLECULE INHIBITORS OF SALT INDUCIBLE KINASES Janssen Biotech, Inc. (US) 2023-12-06 EP disclosed
WO-2022165530-A1 SMALL MOLECULE INHIBITORS OF SALT INDUCIBLE KINASES JANSSEN BIOTECH, INC. (US) 2022-08-04 WO disclosed
WO-2014128213-A1 COMPOUNDS FOR USE IN INHIBITING HIV CAPSID ASSEMBLY Ruprecht-Karls-Universität Heidelberg (DE) 2014-08-28 WO disclosed
EP-2769722-A1 Compounds for use in inhibiting HIV capsid assembly Ruprecht-Karls-Universität Heidelberg (DE) 2014-08-27 EP disclosed
US-20080146570-A1 Chemical Compounds ASTRAZENECA AB (SE) 2008-06-19 US disclosed
EP-1924573-A1 B-RAF INHIBITORS AstraZeneca AB (SE) 2008-05-28 EP disclosed
CN-101146789-A Compound (I) ASTRAZENECA AB (SE) 2008-03-19 CN disclosed
WO-2006079791-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2006-08-03 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-20240174662-A1 SMALL MOLECULE INHIBITORS OF SALT INDUCIBLE KINASES SIK2, SIK1, SGK2 LMNA 2773/4885CYP2A6 4728/4885ALDH1A1 4411/4885
US-20080146570-A1 Chemical Compounds BRAF, RAF1, NRAS LMNA 3914/4885CYP2A6 1192/4885ALDH1A1 260/4885

“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.