SCHEMBL5490485

SCHEMBL5490485

O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(I)c1

nearest known ligand 0.81

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.81
KCNK3 O14649 2/20 0.70
P2RX1 P51575 2/20 0.69
LMNA P02545 1/20 0.69
RXFP1 Q9HBX9 8/20 0.68
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
PTGS1 P23219 2/20 0.67
HTT P42858 1/20 0.67
RAB9A P51151 1/20 0.67
KCNK9 Q9NPC2 1/20 0.65
TSHR P16473 1/20 0.64
POLB P06746 1/20 0.62

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
SCHEMBL29561769 1.00 MAPT (0.81) MAPTKCNK3P2RX1LMNARXFP1
SCHEMBL4286068 0.90 MAPT (0.94) MAPTKCNK3P2RX1LMNARXFP1
SCHEMBL22065297 0.86 MAPT (0.81) MAPTKCNK3P2RX1LMNARXFP1
SCHEMBL4683413 0.85 KCNK3 (0.88) MAPTKCNK3P2RX1LMNARXFP1
SCHEMBL24141032 0.85 MAPT (0.84) MAPTKCNK3P2RX1LMNARXFP1
SCHEMBL3673898 0.85 KCNK3 (0.61) MAPTKCNK3RXFP1MEN1KMT2A
SCHEMBL826721 0.84 MAPT (0.83) MAPTKCNK3P2RX1LMNARXFP1
SCHEMBL2493221 0.84 MAPT (0.88) MAPTKCNK3P2RX1LMNARXFP1
SCHEMBL27143369 0.84 P2RX1 (0.63) MAPTKCNK3P2RX1LMNARXFP1
Hydrochloric Acid SCHEMBL29693050 0.84 KCNK3 (0.86) MAPTKCNK3P2RX1LMNARXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3795571-B1 ALKYNYL(HETERO)AROMATIC COMPOUND FOR INHIBITING PROTEIN KINASE ACTIVITY SHENZHEN TARGETRX INC (CN) 2024-05-08 EP disclosed
US-11840535-B2 Alkynyl(hetero)aromatic compound for inhibiting protein kinase activity SHENZHEN TARGETRX, INC. (CN) 2023-12-12 US disclosed
EP-3246327-B1 3-ACETYLENYL-PYRAZOLE-PYRIMIDINE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USES THEREOF SI CHUAN UNIV (CN) 2022-11-23 EP disclosed
CN-110194772-B Alkynyl (hetero) aromatic ring compounds for inhibiting protein kinase activity 深圳市塔吉瑞生物医药有限公司 2022-04-05 CN disclosed
US-20210284646-A1 ALKYNYL(HETERO)AROMATIC COMPOUND FOR INHIBITING PROTEIN KINASE ACTIVITY SHENZHEN TARGETRX, INC. (CN) 2021-09-16 US disclosed
EP-3795571-A1 ALKYNYL(HETERO)AROMATIC COMPOUND FOR INHIBITING PROTEIN KINASE ACTIVITY Shenzhen TargetRx, Inc. (CN) 2021-03-24 EP disclosed
WO-2020007234-A1 ALKYNYL(HETERO)AROMATIC COMPOUND FOR INHIBITING PROTEIN KINASE ACTIVITY 深圳市塔吉瑞生物医药有限公司 2020-01-09 WO disclosed
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 EP disclosed
US-10266537-B2 3-acetylenyl-pyrazole-pyrimidine derivative, and preparation method therefor and uses thereof St. Chuan University (CN) 2019-04-23 US disclosed
US-10266537-B2 3-acetylenyl-pyrazole-pyrimidine derivative, and preparation method therefor and uses thereof St. Chuan University (CN) 2019-04-23 US disclosed
US-20170305920-A1 3-ACETYLENYL-PYRAZOLE-PYRIMIDINE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USES THEREOF SI CHUAN UNIVERSITY (CN) 2017-10-26 US disclosed
US-20170305920-A1 3-ACETYLENYL-PYRAZOLE-PYRIMIDINE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USES THEREOF SI CHUAN UNIVERSITY (CN) 2017-10-26 US disclosed
US-20170305920-A1 3-ACETYLENYL-PYRAZOLE-PYRIMIDINE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USES THEREOF SI CHUAN UNIVERSITY (CN) 2017-10-26 US disclosed
WO-2016112846-A1 3-ACETYLENYL-PYRAZOLE-PYRIMIDINE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USES THEREOF 四川大学 2016-07-21 WO disclosed
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 EP disclosed
EP-1836174-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC. (US) 2007-09-26 EP disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
WO-2006039718-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2006-04-13 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-20210284646-A1 ALKYNYL(HETERO)AROMATIC COMPOUND FOR INHIBITING PROTEIN KINASE ACTIVITY ALK, BRAF, DSTYK MAPT 1287/4885KCNK3 437/4885P2RX1 2847/4885
US-20170305920-A1 3-ACETYLENYL-PYRAZOLE-PYRIMIDINE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USES THEREOF DPYD, TYMP, WEE1 MAPT 4218/4885KCNK3 1335/4885P2RX1 450/4885
US-10266537-B2 3-acetylenyl-pyrazole-pyrimidine derivative, and preparation method therefor and uses thereof DPYD, TYMP, WEE1 MAPT 4218/4885KCNK3 1335/4885P2RX1 450/4885
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use MAP3K1, MAP3K5, MAP3K2 MAPT 4333/4885KCNK3 835/4885P2RX1 478/4885
US-11840535-B2 Alkynyl(hetero)aromatic compound for inhibiting protein kinase activity ALK, BRAF, DSTYK MAPT 1287/4885KCNK3 437/4885P2RX1 2847/4885

“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.