SCHEMBL30639397

SCHEMBL30639397

Nc1ncnc2c(-c3cccnc3)cccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 3/20 0.49
CYP11B1 P15538 2/20 0.43
TDO2 P48775 1/20 0.43
MEN1 O00255 1/20 0.42
PSIP1 O75475 1/20 0.42
AXL P30530 1/20 0.42
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
CYP11B2 P19099 1/20 0.42
CYP2A6 P11509 3/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
PI4KB Q9UBF8 2/20 0.40
PIK3CA P42336 2/20 0.40
PI4KA P42356 1/20 0.40
PI4K2B Q8TCG2 1/20 0.40
PI4K2A Q9BTU6 1/20 0.40
NTRK1 P04629 1/20 0.40
DYRK1A Q13627 1/20 0.40

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
SCHEMBL27953881 1.00 LIMK1 (0.49) LIMK1CYP11B1TDO2MEN1PSIP1
SCHEMBL30639400 0.86 LIMK1 (0.46) LIMK1PI4KBPI4KAPI4K2BPI4K2A
SCHEMBL30639393 0.83 LIMK1 (0.49) LIMK1PI4KBPIK3CAPI4KAPI4K2B
SCHEMBL30639391 0.82 LIMK1 (0.63) LIMK1PI4KBPI4KAPI4K2BPI4K2A
SCHEMBL30639399 0.81 PIK3CA (0.43) LIMK1ALDH1A1PI4KBPIK3CAPI4KA
SCHEMBL26259989 0.76 CYP2A6 (0.64) CYP11B1TDO2MEN1PSIP1AXL
SCHEMBL28138757 0.76 CYP11B1 (0.53) CYP11B1TDO2MEN1PSIP1AXL
SCHEMBL19053831 0.74 KDM4E (0.54) TDO2MEN1PSIP1AXLMKNK1
SCHEMBL29723496 0.74 LIMK1 (0.53) LIMK1TDO2CYP2A6CYP1A2CYP3A4
SCHEMBL29576461 0.73 MAP4K4 (0.59) TDO2MEN1PSIP1AXLMKNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117043144-A 8-ring-substituted quinazoline derivatives as LPA receptor 2 inhibitors 奇斯药制品公司 2023-11-10 CN claimed
US-20240190860-A1 8-CYCLO-SUBSTITUTED QUINAZOLINE DERIVATIVES AS LPA RECEPTOR 2 INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-06-13 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 (1 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-20240190860-A1 8-CYCLO-SUBSTITUTED QUINAZOLINE DERIVATIVES AS LPA RECEPTOR 2 INHIBITORS LPAR2, LPAR5, LPAR1 LIMK1 2781/4885CYP11B1 2699/4885TDO2 3244/4885

“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.