SCHEMBL4344404

SCHEMBL4344404

COc1cncnc1N1CCNCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.52
CYP3A4 P08684 4/20 0.52
CYP2D6 P10635 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
TSHR P16473 2/20 0.52
RECQL P46063 1/20 0.52
CHRNB2 P17787 2/20 0.49
CHRNA4 P43681 2/20 0.49
CYP2C19 P33261 4/20 0.47
HSD17B10 Q99714 2/20 0.47
ALOX15 P16050 1/20 0.47
CLK4 Q9HAZ1 3/20 0.46
USP2 O75604 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
ADRB1 P08588 1/20 0.45
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45

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
SCHEMBL31652127 1.00 CYP1A2 (0.52) CYP1A2CYP3A4CYP2D6MEN1KMT2A
Hydrochloric Acid SCHEMBL23932492 0.98 CYP1A2 (0.51) CYP1A2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL7091628 0.94 CHRNB2 (0.53) CYP1A2CYP3A4CYP2D6MEN1KMT2A
Trifluoroacetic Acid SCHEMBL26600211 0.87 PKM (0.48) CYP1A2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL4349208 0.84 CYP2D6 (0.50) CYP1A2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL15381493 0.82 CYP3A4 (0.66) CYP1A2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL4351559 0.81 KIT (0.46) CYP1A2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL26600945 0.81 KIT (0.46) CYP1A2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL26669581 0.80 CYP1A2 (0.46) CYP1A2CYP3A4CYP2D6MEN1KMT2A
Hydrochloric Acid SCHEMBL26599918 0.80 KIT (0.45) CYP1A2CYP3A4CYP2D6MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0464558-B1 Antimigraine alkoxypyrimidine derivatives BRISTOL MYERS SQUIBB CO (US) 1994-12-28 EP claimed
US-20230340011-A1 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS Asteroid Therapeutics 2023-10-26 US disclosed
US-20230150980-A1 COLLAGEN 1 TRANSLATION INHIBITORS AND METHODS OF USE THEREOF ANIMA BIOTECH INC. (US) 2023-05-18 US disclosed
US-20230150980-A1 COLLAGEN 1 TRANSLATION INHIBITORS AND METHODS OF USE THEREOF ANIMA BIOTECH INC. (US) 2023-05-18 US disclosed
WO-2021216665-A9 COLLAGEN 1 TRANSLATION INHIBITORS AND METHODS OF USE THEREOF ANIMA BIOTECH INC. (US) 2021-12-02 WO disclosed
WO-2021216665-A1 COLLAGEN 1 TRANSLATION INHIBITORS AND METHODS OF USE THEREOF ANIMA BIOTECH INC. (US) 2021-10-28 WO disclosed
US-20160376240-A1 6 Phenyl or 6 Pyridin 3 YL Indazole Derivatives and Methods of Use ABBVIE INC. (US) 2016-12-29 US disclosed
EP-3097091-A1 6-PHENYL- OR 6-(PYRIDIN-3-YL)INDAZOLE DERIVATIVES AND METHODS OF USE AbbVie Inc. (US) 2016-11-30 EP disclosed
US-9238632-B2 3-cyanoanilinoalkylarylpiperazine derivative and use thereof in preparing drugs NHWA Pharma, Corporation (CN) 2016-01-19 US disclosed
US-9238632-B2 3-cyanoanilinoalkylarylpiperazine derivative and use thereof in preparing drugs NHWA Pharma, Corporation (CN) 2016-01-19 US disclosed
US-5434154-A Serotonin agonists BRISTOL-MYERS SQUIBB COMPANY (US) 1995-07-18 US disclosed
EP-0645385-A1 Antimigraine cyclobutenedione derivatives of indolylalkyl-pyridinyl and pyrimidinylpiperazines Bristol-Myers Squibb Company (US) 1995-03-29 EP disclosed
EP-0464604-B1 1-Indolylalkyl-4-(alkoxy-pyrimidinyl)piperazines BRISTOL MYERS SQUIBB CO (US) 1995-03-29 EP disclosed
EP-0464558-B1 Antimigraine alkoxypyrimidine derivatives BRISTOL MYERS SQUIBB CO (US) 1994-12-28 EP disclosed
WO-1994014779-A1 PYRIMIDINYL-PIPERAZINE DERIVATIVES AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 1994-07-07 WO disclosed
US-5300506-A Indole-3-alkyl derivatives of alkoxypyrimidinylpiperazines BRISTOL-MYERS SQUIBB COMPANY (US) 1994-04-05 US disclosed
EP-0548813-A1 Antimigraine 4-pyrimidinyl and pyridinyl derivatives of indol-3yl-alkyl piperazines Bristol-Myers Squibb Company (US) 1993-06-30 EP disclosed
EP-0464558-A1 Antimigraine alkoxypyrimidine derivatives Bristol-Myers Squibb Company (US) 1992-01-08 EP disclosed
EP-0464604-A2 1-Indolylalkyl-4-(alkoxy-pyrimidinyl)piperazines Bristol-Myers Squibb Company (US) 1992-01-08 EP disclosed
US-5077293-A Antidepressants BRISTOL-MYERS SQUIBB CO. (US) 1991-12-31 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-20230150980-A1 COLLAGEN 1 TRANSLATION INHIBITORS AND METHODS OF USE THEREOF COL1A1, COL2A1, COL14A1 CYP1A2 3367/4885CYP3A4 4190/4885CYP2D6 4382/4885
US-20160376240-A1 6 Phenyl or 6 Pyridin 3 YL Indazole Derivatives and Methods of Use MUSK, NTRK3, NTRK2 CYP1A2 1160/4885CYP3A4 1125/4885CYP2D6 229/4885
US-20230340011-A1 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS SREBF1, SREBF2, NR1H3 CYP1A2 935/4885CYP3A4 1793/4885CYP2D6 3243/4885

“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.