SCHEMBL3567265

SCHEMBL3567265

C[C@@H]1CN(c2ccc(N)cc2F)C[C@H](C)N1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
MAPT P10636 2/20 0.49
LMNA P02545 1/20 0.49
MAPK1 P28482 1/20 0.49
GFER P55789 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
SIGMAR1 Q99720 1/20 0.40
HTT P42858 3/20 0.40
FLT3 P36888 1/20 0.36
GAA P10253 2/20 0.36
MEN1 O00255 1/20 0.36
THRB P10828 1/20 0.36
NR4A1 P22736 1/20 0.36
KMT2A Q03164 1/20 0.36
PTK2B Q14289 1/20 0.36
SCN9A Q15858 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
GHSR Q92847 3/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL30435989 1.00 ALDH1A1 (0.49) ALDH1A1MAPTLMNAMAPK1GFER
SCHEMBL28281615 0.83 ALDH1A1 (0.49) ALDH1A1MAPTLMNAMAPK1GFER
SCHEMBL14684816 0.83 ALDH1A1 (0.49) ALDH1A1MAPTLMNAMAPK1GFER
SCHEMBL15542521 0.82 ALDH1A1 (0.50) ALDH1A1MAPTLMNAMAPK1GFER
SCHEMBL10126807 0.82 MAPT (0.56) ALDH1A1MAPTLMNAGFERSIGMAR1
SCHEMBL16541459 0.81 MAPT (0.47) ALDH1A1MAPTSIGMAR1HTTFLT3
SCHEMBL1046324 0.81 ALDH1A1 (0.49) ALDH1A1MAPTLMNAMAPK1GFER
SCHEMBL13370661 0.81 HTT (0.54) ALDH1A1MAPTLMNAMAPK1GFER
SCHEMBL16671146 0.81 HTT (0.54) ALDH1A1MAPTLMNAMAPK1GFER
SCHEMBL1046325 0.81 ALDH1A1 (0.49) ALDH1A1MAPTLMNAMAPK1GFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4186894-A1 FGFR INHIBITOR COMPOUND AND USE THEREOF Henan Medinno Pharmaceutical Technology Co., Ltd. (CN) 2023-05-31 EP disclosed
CN-107635553-B Pyrimidine derivatives as kinase inhibitors and their therapeutic use 常山凯捷健生物药物研发(河北)有限公司 2020-08-14 CN disclosed
EP-3261638-B1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS AND THEIR THERAPEUTICAL APPLICATIONS NANTBIOSCIENCE INC (US) 2019-05-08 EP disclosed
US-20180215734-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS AND THEIR THERAPEUTICAL APPLICATIONS NANTBIOSCIENCE, INC. 2018-08-02 US disclosed
EP-3261638-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS AND THEIR THERAPEUTICAL APPLICATIONS NantBioScience, Inc. (US) 2018-01-03 EP disclosed
WO-2016138527-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS AND THEIR THERAPEUTICAL APPLICATIONS NANTBIOSCIENCE, INC. (US) 2016-09-01 WO disclosed
EP-2681221-B1 TRICYCLIC INHIBITORS OF KINASES ABBVIE INC (US) 2016-05-18 EP disclosed
US-8710065-B2 Tricyclic inhibitors of kinases ABBVIE INC. (US) 2014-04-29 US disclosed
US-20120220572-A1 TRICYCLIC INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2012-08-30 US disclosed
WO-2011156786-A2 6-(ETHYNYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2011-12-15 WO disclosed
US-7713994-B2 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo,1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihyro-3 (2H)-isoquinolones and methods of use thereof WYETH LLC (US) 2010-05-11 US disclosed
US-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof WYETH (US) 2008-04-10 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-20180215734-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS AND THEIR THERAPEUTICAL APPLICATIONS DCK, TK1, DTYMK ALDH1A1 2203/4885MAPT 3445/4885LMNA 3473/4885
US-20120220572-A1 TRICYCLIC INHIBITORS OF KINASES WEE1, WEE2, CDK1 ALDH1A1 2764/4885MAPT 2484/4885LMNA 3229/4885
US-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof SULT1E1, RECQL, HAX1 ALDH1A1 61/4885MAPT 4095/4885LMNA 2285/4885

“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.