SCHEMBL805458

SCHEMBL805458

CC(C)(C)c1cnccc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LATS1 O95835 1/20 0.40
ALDH1A1 P00352 3/20 0.38
SLC22A12 Q96S37 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
KIF11 P52732 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 1/20 0.35
NFE2L2 Q16236 1/20 0.35
ALOX5 P09917 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
CYP17A1 P05093 1/20 0.34
MAPT P10636 1/20 0.34
SSTR4 P31391 2/20 0.33

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
SCHEMBL12341054 0.91 LATS1 (0.40) LATS1ALDH1A1SLC22A12NPC1POLB
SCHEMBL16167559 0.87 KIF11 (0.34) LATS1ALDH1A1SLC22A12NPC1POLB
SCHEMBL20772453 0.86 KIF11 (0.41) LATS1ALDH1A1SLC22A12NPC1POLB
SCHEMBL1705592 0.86 KIF11 (0.39) LATS1ALDH1A1KIF11GAAALOX5
SCHEMBL18235334 0.78 KIF11 (0.34) KIF11ALOX5PTGS1PTGS2
SCHEMBL16472122 0.76 LOXL2 (0.38) LATS1SLC22A12KIF11ALOX5PTGS1
SCHEMBL7808033 0.76 LOXL2 (0.38) LATS1SLC22A12KIF11ALOX5PTGS1
SCHEMBL1310290 0.76 CYP17A1 (0.44) LATS1ALDH1A1SLC22A12KIF11L3MBTL1
SCHEMBL803091 0.76 LOXL2 (0.42) LATS1SLC22A12KIF11ALOX5PTGS1
SCHEMBL18235336 0.76 KIF11 (0.35) ALDH1A1KIF11ALOX5PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2024-07-11 US disclosed
US-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2024-07-11 US disclosed
US-RE49594-E1 Apelin receptor (APJ) agonists and uses thereof RESEARCH TRIANGLE INSTITUTE (US) 2023-08-01 US disclosed
US-RE49594-E1 Apelin receptor (APJ) agonists and uses thereof RESEARCH TRIANGLE INSTITUTE (US) 2023-08-01 US disclosed
US-11535630-B2 Apelin receptor (APJ) agonists and uses thereof RESEARCH TRIANGLE INSTITUTE (US) 2022-12-27 US disclosed
US-20210094919-A1 KRAS MUTANT PROTEIN INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. 2021-04-01 US disclosed
US-20210070767-A1 APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF RESEARCH TRIANGLE INSTITUTE 2021-03-11 US disclosed
WO-2021043322-A1 AZEPINO PYRIMIDINE DERIVATIVES AND MEDICAL USE THEREOF 正大天晴药业集团南京顺欣制药有限公司 2021-03-11 WO disclosed
US-20210040089-A1 KRAS MUTANT PROTEIN INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. 2021-02-11 US disclosed
US-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-11-05 US disclosed
US-20090292014-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS ZHANG CHENGZHI 2009-11-26 US disclosed
US-20090143412-A1 FUROPYRIDINE AND FUROPYRIMIDINE DERIVATIVES FOR THE TREATMENT OF HYPER-PROLIFERATIVE DISORDERS BAYER HEALTHCARE LLC (US) 2009-06-04 US disclosed
US-20090143412-A1 FUROPYRIDINE AND FUROPYRIMIDINE DERIVATIVES FOR THE TREATMENT OF HYPER-PROLIFERATIVE DISORDERS BAYER HEALTHCARE LLC (US) 2009-06-04 US disclosed
US-7498341-B2 antidiabetic agents; type 2 diabetes SANOFI AVENTIS DEUTSCHLAND GMBH (DE) 2009-03-03 US disclosed
US-20090023783-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS ZHANG CHENGZHI 2009-01-22 US disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 US disclosed
US-7429584-B2 Furo[2.3-b]pyridine derivatives for the treatment of hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2008-09-30 US disclosed
US-7429584-B2 Furo[2.3-b]pyridine derivatives for the treatment of hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2008-09-30 US disclosed
US-7420066-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2008-09-02 US disclosed
US-20080004287-A1 Substituted Piperidines that Increase P53 Activity and the Uses Thereof SCHERING CORPORATION 2008-01-03 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 (11 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-20080312435-A1 Imine Compound CNR1, CNR2, HRH4 LATS1 3790/4885ALDH1A1 2674/4885SLC22A12 3821/4885
US-20090292014-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS PCNA, MKI67, CDK4 LATS1 831/4885ALDH1A1 609/4885SLC22A12 3241/4885
US-20090143412-A1 FUROPYRIDINE AND FUROPYRIMIDINE DERIVATIVES FOR THE TREATMENT OF HYPER-PROLIFERATIVE DISORDERS NCOR1, NR3C1, NR3C2 LATS1 1954/4885ALDH1A1 668/4885SLC22A12 1286/4885
US-20080004287-A1 Substituted Piperidines that Increase P53 Activity and the Uses Thereof TP53, MDM2, TP53BP1 LATS1 2449/4885ALDH1A1 1827/4885SLC22A12 3915/4885
US-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS RIPK1, RIPK2, RIPK4 LATS1 522/4885ALDH1A1 4108/4885SLC22A12 4396/4885
US-11535630-B2 Apelin receptor (APJ) agonists and uses thereof APLNR, AP1G1, APMAP LATS1 4280/4885ALDH1A1 3849/4885SLC22A12 3327/4885
US-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TP53, HRAS, KRAS LATS1 501/4885ALDH1A1 2917/4885SLC22A12 3945/4885
US-20210070767-A1 APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF APLNR, AP1G1, APMAP LATS1 4280/4885ALDH1A1 3849/4885SLC22A12 3327/4885
US-20090023783-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS PCNA, MKI67, CDK4 LATS1 831/4885ALDH1A1 609/4885SLC22A12 3241/4885
US-20210040089-A1 KRAS MUTANT PROTEIN INHIBITORS KRAS, NRAS, APC LATS1 1025/4885ALDH1A1 3926/4885SLC22A12 4129/4885
US-20210094919-A1 KRAS MUTANT PROTEIN INHIBITORS KRAS, NRAS, APC LATS1 918/4885ALDH1A1 4345/4885SLC22A12 4251/4885

“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.