SCHEMBL6754801

SCHEMBL6754801

Cc1nc(C)c(-c2[nH]nc3c2C(=O)c2c(NC(=O)NN4CCN(C)CC4)cccc2-3)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 19/20 1.00
CCND1 P24385 19/20 1.00
CDK2 P24941 8/20 1.00
CCNB2 O95067 1/20 1.00
ABL1 P00519 1/20 1.00
CDK1 P06493 1/20 1.00
CCNB1 P14635 1/20 1.00
CCNA2 P20248 1/20 1.00
CCNA1 P78396 1/20 1.00
CCNB3 Q8WWL7 1/20 1.00
CCNE2 O96020 6/20 0.62
CCNE1 P24864 6/20 0.62

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
SCHEMBL6754798 0.93 CDK4 (0.87) CDK4CCND1CDK2CCNB2ABL1
SCHEMBL6753793 0.91 CDK4 (0.83) CDK4CCND1CDK2CCNB2ABL1
SCHEMBL4026307 0.85 CDK4 (0.93) CDK4CCND1CDK2CCNB2ABL1
SCHEMBL6753785 0.84 CDK4 (0.74) CDK4CCND1CDK2CCNB2ABL1
SCHEMBL6749107 0.84 CDK4 (0.72) CDK4CCND1CDK2CCNB2ABL1
SCHEMBL4026313 0.83 CDK4 (1.00) CDK4CCND1CDK2CCNB2ABL1
SCHEMBL10087379 0.82 CDK4 (0.71) CDK4CCND1CDK2CCNB2ABL1
SCHEMBL4203842 0.82 CDK4 (0.80) CDK4CCND1CDK2CCNB2ABL1
SCHEMBL6753304 0.82 CDK4 (0.76) CDK4CCND1CDK2CCNB2ABL1
SCHEMBL7664909 0.81 CDK4 (0.69) CDK4CCND1CDK2CCNB2ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6706718-B2 POTENT INHIBITORS OF CYCLIN DEPENDENT KINASES; TREATING CANCER OR OTHER PROLIFERATIVE DISEASES BRISTOL-MYERS SQUIBB COMPANY 2004-03-16 US claimed
US-20020107274-A1 3- (2,4-dimethylthiazol-5-yl) indeno [1,2-c]pyrazol-4-one derivatives and their uses BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-08-08 US claimed
US-20240034799-A1 METHODS AND SYSTEMS OF STRATIFYING INFLAMMATORY DISEASE PATIENTS CEDARS SINAI MEDICAL CENTER (US) 2024-02-01 US disclosed
EP-4256086-A1 METHODS AND SYSTEMS OF STRATIFYING INFLAMMATORY DISEASE PATIENTS Cedars-Sinai Medical Center (US) 2023-10-11 EP disclosed
US-20230279491-A1 TREATMENTS FOR A SUB-POPULATION OF INFLAMMATORY BOWEL DISEASE PATIENTS CEDARS-SINAI MEDICAL CENTER 2023-09-07 US disclosed
EP-4162076-A1 TREATMENTS FOR A SUB-POPULATION OF INFLAMMATORY BOWEL DISEASE PATIENTS Cedars-Sinai Medical Center (US) 2023-04-12 EP disclosed
WO-2022119842-A1 METHODS AND SYSTEMS OF STRATIFYING INFLAMMATORY DISEASE PATIENTS CEDARS-SINAI MEDICAL CENTER (US) 2022-06-09 WO disclosed
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 US disclosed
US-6706718-B2 POTENT INHIBITORS OF CYCLIN DEPENDENT KINASES; TREATING CANCER OR OTHER PROLIFERATIVE DISEASES BRISTOL-MYERS SQUIBB COMPANY 2004-03-16 US disclosed
US-20020107274-A1 3- (2,4-dimethylthiazol-5-yl) indeno [1,2-c]pyrazol-4-one derivatives and their uses BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-08-08 US disclosed
US-6407103-B2 POTENT ENZYME INHIBITORS OF CYCLIN-DEPENDENT KINASES RELATING TO THE CATALYTIC SUBUNITS CDK1-9 AND THEIR REGULATORY SUBUNITS CYCLINS A-H; ANTIPROLIFERATIVE, -CARCINOGENIC AND -TUMOR AGENTS; VIRICIDES; MODULATORS OF DNA/RNA BIOSYNTHESIS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-06-18 US disclosed
US-20010027195-A1 Indeno [1,2-c]pyrazol-4-ones and their uses DUPONT PHARMACEUTICALS COMPANY 2001-10-04 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 (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-20010027195-A1 Indeno [1,2-c]pyrazol-4-ones and their uses CDK1, CCNA1, CDK19 CDK4 14/4885CCND1 45/4885CDK2 8/4885
US-20020107274-A1 3- (2,4-dimethylthiazol-5-yl) indeno [1,2-c]pyrazol-4-one derivatives and their uses CCNA1, CCNI, CDKN1A CDK4 10/4885CCND1 34/4885CDK2 7/4885

“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.