SCHEMBL2815504

SCHEMBL2815504

CC(C)Nc1ccc(C#N)cn1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.49
IRAK4 Q9NWZ3 6/20 0.45
ABCB1 P08183 1/20 0.43
ABCC1 P33527 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
FASN P49327 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
VNN1 O95497 1/20 0.41
IDH1 O75874 3/20 0.41
DPP7 Q9UHL4 1/20 0.40
TMPRSS4 Q9NRS4 1/20 0.40
LRRK2 Q5S007 1/20 0.40

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
SCHEMBL27615742 0.86 DPP7 (0.41) IRAK4MEN1KMT2AKDM4EALDH1A1
SCHEMBL19249517 0.83 HCAR3 (0.55) HCAR3IRAK4MEN1KMT2AKDM4E
SCHEMBL27306292 0.82 AR (0.41) IRAK4MEN1KMT2AKDM4EALDH1A1
SCHEMBL12680385 0.82 IDH1 (0.42) HCAR3IRAK4MEN1KMT2AKDM4E
SCHEMBL27305663 0.80 AR (0.55) IRAK4ALDH1A1VNN1IDH1
SCHEMBL27305879 0.80 USP30 (0.50) IRAK4FASNIDH1
SCHEMBL22674741 0.80 IDH1 (0.43) HCAR3IRAK4MEN1KMT2AKDM4E
SCHEMBL14993190 0.79 VNN1 (0.49) MEN1KMT2AALDH1A1VNN1IDH1
SCHEMBL14993189 0.79 VNN1 (0.49) MEN1KMT2AALDH1A1VNN1IDH1
SCHEMBL30401857 0.79 KDM4E (0.46) HCAR3ABCB1ABCG2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260042747-A1 KIT INHIBITORS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF ALIVEXIS, INC. (JP) 2026-02-12 US disclosed
EP-4565575-A1 KIT INHIBITORS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF Alivexis, Inc. (JP) 2025-06-11 EP disclosed
CN-119866333-A KIT inhibitors, compounds, pharmaceutical compositions, and methods of use thereof 亚力维克希斯股份有限公司 2025-04-22 CN disclosed
WO-2024029489-A1 KIT INHIBITORS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF MODULUS DISCOVERY, INC. (JP) 2024-02-08 WO disclosed
WO-2024029489-A1 KIT INHIBITORS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF MODULUS DISCOVERY, INC. (JP) 2024-02-08 WO disclosed
WO-2022136914-A1 TYK2 INHIBITORS AND USES THEREOF SUDO BIOSCIENCES LIMITED (GB) 2022-06-30 WO disclosed
US-20200360383-A1 Quinazoline Compounds GILEAD SCIENCES, INC. 2020-11-19 US disclosed
US-10548898-B2 Quinazoline compounds GILEAD SCIENCES INC. (US) 2020-02-04 US disclosed
US-20190134035-A1 Quinazoline Compounds GILEAD SCIENCES, INC. 2019-05-09 US disclosed
US-10206926-B2 Quinazoline compounds GILEAD SCIENCES, INC. (US) 2019-02-19 US disclosed
US-20100222319-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-09-02 US disclosed
EP-2004188-B1 BENZOIMIDAZOL-2-YL PYRIDINES AS MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2010-09-01 EP disclosed
CN-101808996-A Nicotinamide derivatives, their preparation and their use in therapeutics SANOFI AVENTIS 2010-08-18 CN disclosed
EP-2205566-A2 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-07-14 EP disclosed
US-7589087-B2 Benzoimidazol-2-yl pyridines as modulators of the histamine H4receptor JANSSEN PHARMACEUTICA, N.V. (BE) 2009-09-15 US disclosed
WO-2009074749-A2 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-06-18 WO disclosed
EP-2004188-A4 BENZOIMIDAZOL-2-YL PYRIDINES AS MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2009-04-22 EP disclosed
EP-2004188-A2 BENZOIMIDAZOL-2-YL PYRIDINES AS MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-24 EP disclosed
WO-2007117400-A2 BENZOIMIDAZOL-2-YL PYRIDINES AS MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-18 WO disclosed
US-20070232616-A1 Benzoimidazol-2-yl pyridines as modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-04 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 (7 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-20190134035-A1 Quinazoline Compounds TTBK1, TTBK2, MAPT HCAR3 3228/4885IRAK4 3811/4885ABCB1 23/4885
US-10206926-B2 Quinazoline compounds TTBK1, TTBK2, MAPT HCAR3 3228/4885IRAK4 3811/4885ABCB1 23/4885
US-20200360383-A1 Quinazoline Compounds TTBK1, TTBK2, MAPT HCAR3 3228/4885IRAK4 3811/4885ABCB1 23/4885
US-10548898-B2 Quinazoline compounds TTBK1, TTBK2, MAPT HCAR3 3228/4885IRAK4 3811/4885ABCB1 23/4885
US-20070232616-A1 Benzoimidazol-2-yl pyridines as modulators of the histamine H4 receptor HRH4, HRH3, HRH2 HCAR3 15/4885IRAK4 341/4885ABCB1 2212/4885
US-20100222319-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF NNT, NAMPT, NQO1 HCAR3 747/4885IRAK4 2720/4885ABCB1 1671/4885
US-20260042747-A1 KIT INHIBITORS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KIT, LTK, HRH3 HCAR3 141/4885IRAK4 134/4885ABCB1 613/4885

“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.