SCHEMBL8304966

SCHEMBL8304966

Cc1cc(Cl)nc2c1NC(=O)c1cccnc1N2C1CC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.72
LMNA P02545 1/20 0.72
POLB P06746 1/20 0.72
ADORA3 P0DMS8 1/20 0.72
MAPK1 P28482 1/20 0.72
ADORA2A P29274 1/20 0.72
ADORA1 P30542 1/20 0.72
PDE3A Q14432 1/20 0.72
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP3A4 P08684 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 1/20 0.41
TNKS2 Q9H2K2 1/20 0.38
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
MCL1 Q07820 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL8299453 0.89 ALDH1A1 (0.75) ALDH1A1LMNAPOLBADORA3MAPK1
SCHEMBL8887731 0.88 ALDH1A1 (0.73) ALDH1A1LMNAPOLBADORA3MAPK1
SCHEMBL8889576 0.87 ALDH1A1 (0.72) ALDH1A1LMNAPOLBADORA3MAPK1
SCHEMBL8887408 0.87 ALDH1A1 (0.72) ALDH1A1LMNAPOLBADORA3MAPK1
SCHEMBL8299602 0.85 ALDH1A1 (0.69) ALDH1A1LMNAPOLBADORA3MAPK1
SCHEMBL8300345 0.85 ALDH1A1 (0.69) ALDH1A1LMNAPOLBADORA3MAPK1
SCHEMBL8888702 0.84 ALDH1A1 (0.68) ALDH1A1LMNAPOLBADORA3MAPK1
Nevirapine SCHEMBL3318 0.84 ALDH1A1 (1.00) ALDH1A1LMNAPOLBADORA3MAPK1
Nevirapine SCHEMBL29614675 0.84 ALDH1A1 (1.00) ALDH1A1LMNAPOLBADORA3MAPK1
Nevirapine SCHEMBL30267890 0.84 ALDH1A1 (1.00) ALDH1A1LMNAPOLBADORA3MAPK1

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
EP-0429987-B1 5,11-Dihydro-6H-dipyrido[3,2-b:2',3'-e] [1,4]diazepines and their use in the prevention or treatment of HIV infection BOEHRINGER INGELHEIM PHARMA (US) 1999-03-17 EP claimed
US-5620974-A ENZYME INHIBITOR, TREATS ACQUIRED IMMUNE DEFICIENCY SYNDROME(AIDS) BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1997-04-15 US claimed
EP-0429987-A2 5,11-Dihydro-6H-dipyrido[3,2-b:2',3'-e] [1,4]diazepines and their use in the prevention or treatment of HIV infection BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 1991-06-05 EP claimed
US-20250221967-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER AND OTHER PROLIFERATIVE DISEASES THE WISTAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2025-07-10 US disclosed
US-20250011333-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2025-01-09 US disclosed
CN-119235835-A Itaconic acid and its derivatives as CDK4/6 inhibitor and antitumor use 中国药科大学 2025-01-03 CN disclosed
US-12161687-B2 Compositions targeting the interaction domain between p27KIP1 and Brk and methods of use thereof to inhibit p27 Y phosphorylation and cdk4 activity THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2024-12-10 US disclosed
WO-2023196727-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER AND OTHER PROLIFERATIVE DISEASES THE WISTAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2023-10-12 WO disclosed
US-20230053231-A1 COMPOSITIONS TARGETING THE INTERACTION DOMAIN BETWEEN P27KIP1 AND BRK AND METHODS OF USE THEREOF TO INHIBIT P27 Y PHOSPHORYLATION AND CDK4 ACTIVITY THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2023-02-16 US disclosed
EP-0429987-B1 5,11-Dihydro-6H-dipyrido[3,2-b:2',3'-e] [1,4]diazepines and their use in the prevention or treatment of HIV infection BOEHRINGER INGELHEIM PHARMA (US) 1999-03-17 EP disclosed
US-5620974-A ENZYME INHIBITOR, TREATS ACQUIRED IMMUNE DEFICIENCY SYNDROME(AIDS) BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1997-04-15 US disclosed
US-5366972-A 5,11-dihydro-6H-dipyrido(3,2-B:2',3'-E)(1,4)diazepines and their use in the prevention or treatment of HIV infection BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1994-11-22 US disclosed
EP-0429987-A2 5,11-Dihydro-6H-dipyrido[3,2-b:2',3'-e] [1,4]diazepines and their use in the prevention or treatment of HIV infection BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 1991-06-05 EP 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-20250221967-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER AND OTHER PROLIFERATIVE DISEASES RB1, RBBP5, TP53 ALDH1A1 3489/4885LMNA 2443/4885POLB 1166/4885
US-20250011333-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS MAP3K5, MAP3K9, MAP4K2 ALDH1A1 3081/4885LMNA 2710/4885POLB 1522/4885

“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.