SCHEMBL29901474

SCHEMBL29901474

Cc1ccc2cnn(C)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.57
NOTUM Q6P988 1/20 0.45
ERCC1 P07992 1/20 0.44
ERCC4 Q92889 1/20 0.44
PDE1C Q14123 1/20 0.43
CYP1A2 P05177 3/20 0.42
CYP2A6 P11509 2/20 0.42
CDK8 P49336 2/20 0.40
MAPT P10636 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CYP11B2 P19099 1/20 0.40
MPO P05164 1/20 0.40
GRM4 Q14833 1/20 0.39
ESRRG P62508 1/20 0.39
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
HTR2B P41595 1/20 0.39
QPCT Q16769 1/20 0.39
TLR8 Q9NR97 1/20 0.38
VNN1 O95497 1/20 0.38

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
SCHEMBL425168 1.00 KMO (0.57) KMONOTUMERCC1ERCC4PDE1C
SCHEMBL29769166 0.83 TRPA1 (0.46) KMOPDE1CCYP1A2CYP2A6MAPT
SCHEMBL424964 0.83 TRPA1 (0.46) KMOPDE1CCYP1A2CYP2A6MAPT
SCHEMBL18751498 0.81 NR3C1 (0.50) KMOERCC1ERCC4CDK8CCNC
SCHEMBL8297789 0.79 KMO (0.53) KMOCYP1A2CYP2A6MAPTRXFP1
SCHEMBL13607530 0.79 KMO (0.60) KMONOTUMCYP1A2CYP2A6HTR2A
SCHEMBL19703376 0.78 KMO (0.64) KMOCYP1A2HTR2AHTR2CHTR2B
SCHEMBL13607684 0.78 KMO (0.68) KMOHTR2AHTR2CHTR2B
SCHEMBL15344155 0.78 IRAK4 (0.48) KMOERCC1ERCC4CYP2A6CDK8
SCHEMBL2144057 0.78 NOTUM (0.44) KMONOTUMERCC1ERCC4PDE1C

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
US-12312353-B2 Piperidinyl-methyl-purineamines as NSD2 inhibitors and anti-cancer agents NOVARTIS AG (CH) 2025-05-27 US disclosed
US-20240059703-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE AMGEN INC. 2024-02-22 US disclosed
US-20230382910-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-30 US disclosed
US-11548888-B2 KRas G12C inhibitors Mirati Therapeutics, Inc. (US) 2023-01-10 US disclosed
US-20230002388-A1 PIPERIDINYL-METHYL-PURINEAMINES AS NSD2 INHIBITORS AND ANTI-CANCER AGENTS CHINA NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH CO., LTD. (CN) 2023-01-05 US disclosed
US-11420970-B1 Piperidinyl-methyl-purineamines as NSD2 inhibitors and anti-cancer agents NOVARTIS AG (CH) 2022-08-23 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 (6 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-12312353-B2 Piperidinyl-methyl-purineamines as NSD2 inhibitors and anti-cancer agents NSD2, NSD1, NSD3 KMO 3730/4885NOTUM 4169/4885ERCC1 1113/4885
US-11420970-B1 Piperidinyl-methyl-purineamines as NSD2 inhibitors and anti-cancer agents NSD2, NSD1, NSD3 KMO 3730/4885NOTUM 4169/4885ERCC1 1113/4885
US-11548888-B2 KRas G12C inhibitors KRAS, NRAS, HRAS KMO 4858/4885NOTUM 1256/4885ERCC1 613/4885
US-20230382910-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN TRPV1, SCN3A, KCNN3 KMO 1457/4885NOTUM 1871/4885ERCC1 4045/4885
US-20240059703-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE KRAS, HRAS, APC KMO 4650/4885NOTUM 4200/4885ERCC1 229/4885
US-20230002388-A1 PIPERIDINYL-METHYL-PURINEAMINES AS NSD2 INHIBITORS AND ANTI-CANCER AGENTS NSD2, NSD1, NSD3 KMO 3730/4885NOTUM 4169/4885ERCC1 1113/4885

“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.