SCHEMBL8301083

SCHEMBL8301083

Cc1cc(NC(C)C)nc(N)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.51
CYP2D6 P10635 1/20 0.51
HRH4 Q9H3N8 3/20 0.51
GAA P10253 1/20 0.50
ATM Q13315 1/20 0.50
MAPT P10636 1/20 0.50
TLR8 Q9NR97 1/20 0.50
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
AURKA O14965 1/20 0.44
PDPK1 O15530 1/20 0.44
TGFBR1 P36897 1/20 0.44
AURKB Q96GD4 1/20 0.44
NUDT1 P36639 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
ROCK2 O75116 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL24313180 0.82 TLR8 (0.53) CYP1A2CYP2D6HRH4GAAATM
SCHEMBL10212550 0.82 HRH4 (0.53) HRH4MAPTRAB9ANPC1AURKA
SCHEMBL12262320 0.79 TRPM8 (0.45) CYP1A2HRH4GAAMAPTCYP2C19
SCHEMBL29394574 0.78 HRH4 (0.50) CYP2D6HRH4GAAMAPTCYP2C19
SCHEMBL4899755 0.78 HRH4 (0.50) CYP2D6HRH4GAAMAPTCYP2C19
SCHEMBL135984 0.78 HRH4 (0.50) CYP2D6HRH4GAAMAPTCYP2C19
SCHEMBL16608839 0.78 LMNA (0.46) CYP1A2GAAMAPTCYP2C19TRPM8
SCHEMBL12639130 0.77 NUDT1 (0.57) CYP1A2CYP2D6GAAATMMAPT
SCHEMBL11839050 0.77 CYP1A2 (0.56) CYP1A2CYP2D6GAAATMMAPT
SCHEMBL30166651 0.77 NUDT1 (0.57) CYP1A2CYP2D6GAAATMMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230150993-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-05-18 US disclosed
US-20230150993-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-05-18 US disclosed
EP-4043460-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF Merck Patent GmbH (DE) 2022-08-17 EP disclosed
EP-3784666-B1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF MERCK PATENT GMBH (DE) 2022-03-16 EP disclosed
US-10815225-B2 Antiproliferation compounds and uses thereof MERCK PATENT GMBH (DE) 2020-10-27 US disclosed
US-20190322658-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-10-24 US disclosed
US-20070282101-A1 Indazole compounds ABBVIE INC. 2007-12-06 US disclosed
WO-2004087053-A9 DIPEPTIDYL PEPTIDASE INHIBITORS SYRRX INC (US) 2004-11-11 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 (4 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-20070282101-A1 Indazole compounds CYP3A43, CYP3A7, UGT1A1 CYP1A2 15/4885CYP2D6 23/4885HRH4 2521/4885
US-20190322658-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF MKI67, MCL1, CCNI CYP1A2 2454/4885CYP2D6 2601/4885HRH4 4030/4885
US-20230150993-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF MKI67, MCL1, CCNI CYP1A2 2454/4885CYP2D6 2601/4885HRH4 4030/4885
US-10815225-B2 Antiproliferation compounds and uses thereof MKI67, MCL1, CCNI CYP1A2 2454/4885CYP2D6 2601/4885HRH4 4030/4885

“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.