SCHEMBL24915535

SCHEMBL24915535

OCc1cccc(C(F)F)n1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.40
CCR1 P32246 1/20 0.40
PGK1 P00558 2/20 0.38
PGK2 P07205 2/20 0.38
RXRA P19793 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
IRAK4 Q9NWZ3 4/20 0.33
IDH1 O75874 1/20 0.32
HRH4 Q9H3N8 1/20 0.31

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
SCHEMBL29530354 1.00 ADORA2A (0.40) ADORA2ACCR1PGK1PGK2RXRA
SCHEMBL23343845 0.84 ADORA2A (0.39) ADORA2APGK1PGK2NPSR1IDH1
SCHEMBL18861639 0.79 ADORA2A (0.40) ADORA2APGK1PGK2RXRAGRIN1
SCHEMBL22235700 0.79 ADORA2A (0.37) ADORA2APGK1PGK2IDH1
SCHEMBL2023595 0.79 CCR1 (0.40) ADORA2ACCR1PGK1PGK2IDH1
SCHEMBL23343749 0.79 ADORA2A (0.37) ADORA2APGK1PGK2NPSR1IRAK4
SCHEMBL4047127 0.79 GABRA1 (0.42) ADORA2ACCR1NPSR1IRAK4
SCHEMBL19085083 0.78 CCR1 (0.39) CCR1NPSR1IRAK4
SCHEMBL20416692 0.78 CCR1 (0.39) CCR1NPSR1IRAK4
SCHEMBL27947650 0.77 ADORA2A (0.42) ADORA2APGK1PGK2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230364070-A1 PYRROLO[3,2-C]PYRIDIN-4-ONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ANTARES THERAPEUTICS, INC. 2023-11-16 US disclosed
US-20230364070-A1 PYRROLO[3,2-C]PYRIDIN-4-ONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ANTARES THERAPEUTICS, INC. 2023-11-16 US disclosed
US-20230364070-A1 PYRROLO[3,2-C]PYRIDIN-4-ONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ANTARES THERAPEUTICS, INC. 2023-11-16 US disclosed
CN-116997549-A Pyrrolo [3,2-C ] pyridin-4-one derivatives for the treatment of cancer 蝎子疗法股份有限公司 2023-11-03 CN disclosed
EP-4217070-A1 PYRROLO[3,2-C]PYRIDIN-4-ONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Scorpion Therapeutics, Inc. (US) 2023-08-02 EP disclosed
US-20230145793-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2023-05-11 US disclosed
US-20230145793-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2023-05-11 US disclosed
EP-4122927-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF Shanghai Haiyan Pharmaceutical Technology Co., Ltd. (CN) 2023-01-25 EP disclosed
WO-2022066734-A1 PYRROLO[3,2-C]PYRIDIN-4-ONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER SCORPION THERAPEUTICS, INC. (US) 2022-03-31 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 (2 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-20230364070-A1 PYRROLO[3,2-C]PYRIDIN-4-ONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ERBB2, EGFR, ERBB3 ADORA2A 1669/4885CCR1 984/4885PGK1 205/4885
US-20230145793-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF ADORA2A, ADORA2B, ADORA3 ADORA2A 1/4885CCR1 1981/4885PGK1 1277/4885

“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.