SCHEMBL21243935

SCHEMBL21243935

Cc1ccc2[nH]ncc2c1C1CCc2c(ncnc2N2CCNCC2)C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KRAS P01116 6/20 0.61
C5AR1 P21730 2/20 0.39
RPS6KB1 P23443 1/20 0.37
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
MEN1 O00255 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
ROCK2 O75116 3/20 0.35
ROCK1 Q13464 3/20 0.35
PKN2 Q16513 2/20 0.35
AKT2 P31751 2/20 0.34
PKN1 Q16512 1/20 0.34
GRM7 Q14831 1/20 0.34
PAK1 Q13153 2/20 0.34
HTR2C P28335 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP2C19 P33261 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
SCHEMBL21243933 0.86 KRAS (0.56) KRASC5AR1RPS6KB1AKT2GRM7
SCHEMBL21243941 0.86 KRAS (0.47) KRASRPS6KB1ROCK2ROCK1PKN2
SCHEMBL21243889 0.84 KRAS (0.79) KRAS
SCHEMBL21243874 0.84 KRAS (0.79) KRAS
SCHEMBL21243920 0.84 KRAS (0.79) KRAS
SCHEMBL21243965 0.81 KRAS (0.56) KRASC5AR1RPS6KB1GRM7
SCHEMBL21722231 0.81 KRAS (0.41) KRASCYP1A2CYP3A4MEN1CYP2D6
SCHEMBL30834506 0.81 KRAS (0.41) KRASCYP1A2CYP3A4MEN1CYP2D6
SCHEMBL21734011 0.81 KRAS (0.41) KRASCYP1A2CYP3A4MEN1CYP2D6
SCHEMBL21259532 0.81 KRAS (0.60) KRASC5AR1RPS6KB1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3749665-A1 TETRAHYDROQUINAZOLINE DERIVATIVES USEFUL AS ANTICANCER AGENTS Pfizer Inc. (US) 2020-12-16 EP disclosed
US-10590115-B2 Tetrahydroquinazoline derivatives useful as anticancer agents PFIZER INC. (US) 2020-03-17 US disclosed
US-20190248767-A1 Tetrahydroquinazoline Derivatives Useful as Anticancer Agents PFIZER INC. (US) 2019-08-15 US disclosed
US-20190248767-A1 Tetrahydroquinazoline Derivatives Useful as Anticancer Agents PFIZER INC. (US) 2019-08-15 US disclosed
WO-2019155399-A1 TETRAHYDROQUINAZOLINE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. (US) 2019-08-15 WO disclosed
WO-2019155399-A1 TETRAHYDROQUINAZOLINE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. (US) 2019-08-15 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-20190248767-A1 Tetrahydroquinazoline Derivatives Useful as Anticancer Agents TOP2A, TOP1, TOP2B KRAS 149/4885C5AR1 4723/4885RPS6KB1 1090/4885
US-10590115-B2 Tetrahydroquinazoline derivatives useful as anticancer agents TOP2A, TOP1, TOP2B KRAS 149/4885C5AR1 4723/4885RPS6KB1 1090/4885

“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.