SCHEMBL722277

SCHEMBL722277

Nc1ncc(C#Cc2ccc(Cl)cc2)c(N[C@H]2CC[C@H](O)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHUK O15111 1/20 0.42
MERTK Q12866 8/20 0.38
AXL P30530 2/20 0.38
TYRO3 Q06418 7/20 0.38
FLT3 P36888 6/20 0.38
GAS6 Q14393 6/20 0.38
MAPK14 Q16539 1/20 0.36
TP53 P04637 1/20 0.36
MDM2 Q00987 1/20 0.36
SYK P43405 1/20 0.35
CSNK2A1 P68400 1/20 0.35
ADORA1 P30542 1/20 0.35
BTK Q06187 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
CHEK1 O14757 1/20 0.34
JAK2 O60674 1/20 0.34
LCK P06239 1/20 0.34
IGF1R P08069 1/20 0.34
CSNK1D P48730 1/20 0.34

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
SCHEMBL3250942 1.00 CHUK (0.42) CHUKMERTKAXLTYRO3FLT3
SCHEMBL3253565 1.00 CHUK (0.42) CHUKMERTKAXLTYRO3FLT3
SCHEMBL3245480 0.89 CHUK (0.42) CHUKMERTKAXLTYRO3FLT3
SCHEMBL3252423 0.88 CHUK (0.44) CHUKMERTKAXLTYRO3FLT3
SCHEMBL3252430 0.88 CHUK (0.44) CHUKMERTKAXLTYRO3FLT3
SCHEMBL3248287 0.88 CHUK (0.40) CHUKMERTKAXLTYRO3FLT3
Hydrochloric Acid SCHEMBL3252898 0.88 CHUK (0.42) CHUKMERTKAXLTYRO3FLT3
SCHEMBL3248413 0.86 CHUK (0.40) CHUKMERTKAXLTYRO3FLT3
SCHEMBL3248807 0.86 MERTK (0.41) CHUKMERTKAXLTYRO3FLT3
SCHEMBL3252555 0.85 SYK (0.35) SYKCSNK2A1BTKJAK1TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1303495-B1 SUBSTITUTED 5-ALKYNYL PYRIMIDINES HAVING NEUROTROPHIC ACTIVITY KRENITSKY PHARMACEUTICALS INC (US) 2010-05-26 EP claimed
US-7205297-B2 Substituted 5-alkynyl pyrimidines having neurotrophic activity KRENITSKY PHARMACEUTICALS, INC. (US) 2007-04-17 US claimed
US-20040087789-A1 Substituted 5-alkynyl pyrimidines having neurotrophic activity MIDCAP FUNDING III, LLC 2004-05-06 US claimed
EP-1303495-A1 SUBSTITUTED 5-ALKYNYL PYRIMIDINES HAVING NEUROTROPHIC ACTIVITY Krenitsky Pharmaceuticals, Inc. (US) 2003-04-23 EP claimed
WO-2002008205-A1 SUBSTITUTED 5-ALKYNYL PYRIMIDINES HAVING NEUROTROPHIC ACTIVITY KRENITSKY PHARMACEUTICALS, INC. (US) 2002-01-31 WO claimed
US-20170129915-A1 THERAPEUTIC AGENT FOR DISEASES ASSOCIATED WITH NERVE AXON DYSFUNCTION, INCLUDING THERAPEUTIC AGENT FOR ALZHEIMER'S DISEASE RESILIO COMPANY LIMITED (JP) 2017-05-11 US disclosed
US-9453000-B2 Polycyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-09-27 US disclosed
EP-2946792-A1 THERAPEUTIC AGENT AND THERAPEUTIC METHOD RELATING TO 1,25D3-MARRS FOR NEUROLOGICAL DISEASE SUCH AS ALZHEIMER'S DISEASE& xA; Resilio Company Limited (JP) 2015-11-25 EP disclosed
US-20150126464-A1 THERAPEUTIC DRUG AND THERAPEUTIC METHOD FOR NEUROLOGICAL DISEASES INCLUDING ALZHEIMER'S DISEASE ASSOCIATED WITH 1,25D3-MARRS RESILIO COMPANY LIMITED (JP) 2015-05-07 US disclosed
EP-2559693-B1 Polycyclic compound EISAI R&D MAN CO LTD (JP) 2014-11-26 EP disclosed
US-8754100-B2 Nitrogen-containing fused heterocyclic compounds and their use as beta amyloid production inhibitors EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-06-17 US disclosed
EP-2615090-A1 Nitrogen-containing fused heterocyclic compounds and their use as beta amyloid production inhibitors Eisai R&D Management Co., Ltd. (JP) 2013-07-17 EP disclosed
US-20100130537-A1 CINNAMIDE COMPOUNDS FOR DEMENTIA EISAI R&D MANAGEMENT CO., LTD (JP) 2010-05-27 US disclosed
EP-1303495-B1 SUBSTITUTED 5-ALKYNYL PYRIMIDINES HAVING NEUROTROPHIC ACTIVITY KRENITSKY PHARMACEUTICALS INC (US) 2010-05-26 EP disclosed
EP-2181992-A1 POLYCYCLIC COMPOUND Eisai R&D Management Co., Ltd. (JP) 2010-05-05 EP disclosed
US-20090062529-A1 MULTI-CYCLIC COMPOUNDS EISAI R&D MANAGEMENT CO., LTD., (JP) 2009-03-05 US disclosed
US-7205297-B2 Substituted 5-alkynyl pyrimidines having neurotrophic activity KRENITSKY PHARMACEUTICALS, INC. (US) 2007-04-17 US disclosed
US-20040087789-A1 Substituted 5-alkynyl pyrimidines having neurotrophic activity MIDCAP FUNDING III, LLC 2004-05-06 US disclosed
EP-1303495-A1 SUBSTITUTED 5-ALKYNYL PYRIMIDINES HAVING NEUROTROPHIC ACTIVITY Krenitsky Pharmaceuticals, Inc. (US) 2003-04-23 EP disclosed
WO-2002008205-A1 SUBSTITUTED 5-ALKYNYL PYRIMIDINES HAVING NEUROTROPHIC ACTIVITY KRENITSKY PHARMACEUTICALS, INC. (US) 2002-01-31 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 (5 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-20100130537-A1 CINNAMIDE COMPOUNDS FOR DEMENTIA GRIN1, GRIN2A, GRIN3A CHUK 465/4885MERTK 107/4885AXL 2680/4885
US-20040087789-A1 Substituted 5-alkynyl pyrimidines having neurotrophic activity BDNF, NTRK2, GAP43 CHUK 777/4885MERTK 1581/4885AXL 3387/4885
US-20170129915-A1 THERAPEUTIC AGENT FOR DISEASES ASSOCIATED WITH NERVE AXON DYSFUNCTION, INCLUDING THERAPEUTIC AGENT FOR ALZHEIMER'S DISEASE GAP43, NGF, BDNF CHUK 1335/4885MERTK 2013/4885AXL 4815/4885
US-20150126464-A1 THERAPEUTIC DRUG AND THERAPEUTIC METHOD FOR NEUROLOGICAL DISEASES INCLUDING ALZHEIMER'S DISEASE ASSOCIATED WITH 1,25D3-MARRS BDNF, BACE1, GAP43 CHUK 2624/4885MERTK 3072/4885AXL 4840/4885
US-20090062529-A1 MULTI-CYCLIC COMPOUNDS APP, BACE1, PSEN1 CHUK 2036/4885MERTK 2646/4885AXL 4666/4885

“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.