SCHEMBL6320798

SCHEMBL6320798

CCNC(=O)N1C(=O)NC(C)=C(C#N)C1c1ccccc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
KDM4E B2RXH2 3/20 0.51
MAPT P10636 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
LMNA P02545 2/20 0.46
GAA P10253 5/20 0.46
HSD17B10 Q99714 3/20 0.46
PKM P14618 1/20 0.43
TSHR P16473 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 2/20 0.41
HTT P42858 1/20 0.41
MAPK1 P28482 1/20 0.41
RECQL P46063 1/20 0.40
POLB P06746 2/20 0.39
ELANE P08246 1/20 0.39
DHFR P00374 1/20 0.39

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
SCHEMBL6314889 0.87 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTSMN1; SMN2LMNA
SCHEMBL6637355 0.87 KMT2A (0.42) ALDH1A1KDM4EMAPTSMN1; SMN2LMNA
SCHEMBL6312124 0.86 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTSMN1; SMN2LMNA
SCHEMBL6312877 0.85 KDM4E (0.38) ALDH1A1KDM4EMAPTSMN1; SMN2LMNA
SCHEMBL6320378 0.84 KDM4E (0.42) ALDH1A1KDM4EMAPTSMN1; SMN2LMNA
SCHEMBL6312051 0.83 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTSMN1; SMN2LMNA
SCHEMBL6321486 0.82 CACNA1F (0.46)
SCHEMBL6622232 0.81 MAPK1 (0.41) ALDH1A1KDM4EMAPTLMNAGAA
SCHEMBL6313253 0.80 MAPK1 (0.48) ALDH1A1KDM4EMAPTSMN1; SMN2LMNA
SCHEMBL6321577 0.78 ADRA1D (0.43) ALDH1A1KDM4EMAPTGAAHSD17B10

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6809102-B2 FOR THERAPY OF PROLIFERATIVE DISEASES, SUCH AS CANCER; TO INTERRUPT MITOSIS BRISTOL-MYERS SQUIBB COMPANY 2004-10-26 US claimed
EP-1373221-A4 NOVEL CYANO-SUBSTITUTED DIHYDROPYRIMIDINE COMPOUNDS AND THEIR USE TO TREAT DISEASES BRISTOL MYERS SQUIBB CO (US) 2004-09-29 EP claimed
EP-1373221-A2 NOVEL CYANO-SUBSTITUTED DIHYDROPYRIMIDINE COMPOUNDS AND THEIR USE TO TREAT DISEASES Bristol-Myers Squibb Company (US) 2004-01-02 EP claimed
US-20030008888-A1 Novel cyano-substituted dihydropyrimidine compounds and their use to treat diseases BRISTOL-MYERS SQUIBB COMPANY 2003-01-09 US claimed
WO-2002079149-A2 NOVEL CYANO-SUBSTITUTED DIHYDROPYRIMIDINE COMPOUNDS AND THEIR USE TO TREAT DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-10-10 WO claimed
EP-4558507-B1 MACROCYCLE COMPOUNDS FOR THE TREATMENT OF CANCER HOFFMANN LA ROCHE (CH) 2026-04-29 EP disclosed
WO-2026041636-A1 MACROCYCLE COMPOUNDS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2026-02-26 WO disclosed
EP-4688791-A1 TRICYCLIC COMPOUNDS FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2026-02-11 EP disclosed
US-20250376482-A1 TRICYCLIC COMPOUNDS FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. (US) 2025-12-11 US disclosed
EP-4649081-A1 SULFONYLVINYL COMPOUNDS FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2025-11-19 EP disclosed
US-20250268894-A1 MACROCYCLE COMPOUNDS FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. (US) 2025-08-28 US disclosed
US-20250257075-A1 MACROCYCLIC INHIBITORS OF KRAS FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. (US) 2025-08-14 US disclosed
EP-1373221-A4 NOVEL CYANO-SUBSTITUTED DIHYDROPYRIMIDINE COMPOUNDS AND THEIR USE TO TREAT DISEASES BRISTOL MYERS SQUIBB CO (US) 2004-09-29 EP disclosed
EP-1373223-A4 CYANO-SUBSTITUTED DIHYDROPYRIMIDINE COMPOUNDS AND THEIR USE TO TREAT DISEASES BRISTOL MYERS SQUIBB CO (US) 2004-09-29 EP disclosed
EP-1373221-A2 NOVEL CYANO-SUBSTITUTED DIHYDROPYRIMIDINE COMPOUNDS AND THEIR USE TO TREAT DISEASES Bristol-Myers Squibb Company (US) 2004-01-02 EP disclosed
EP-1373223-A1 CYANO-SUBSTITUTED DIHYDROPYRIMIDINE COMPOUNDS AND THEIR USE TO TREAT DISEASES Bristol-Myers Squibb Company (US) 2004-01-02 EP disclosed
US-20030008888-A1 Novel cyano-substituted dihydropyrimidine compounds and their use to treat diseases BRISTOL-MYERS SQUIBB COMPANY 2003-01-09 US disclosed
WO-2002079169-A1 CYANO-SUBSTITUTED DIHYDROPYRIMIDINE COMPOUNDS AND THEIR USE TO TREAT DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-10-10 WO disclosed
WO-2002079149-A2 NOVEL CYANO-SUBSTITUTED DIHYDROPYRIMIDINE COMPOUNDS AND THEIR USE TO TREAT DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-10-10 WO disclosed
US-20020143026-A1 Cyano-substituted dihydropyrimidine compounds and their use to treat diseases BRISTOL-MYERS SQUIBB COMPANY 2002-10-03 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 (5 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-20250376482-A1 TRICYCLIC COMPOUNDS FOR THE TREATMENT OF CANCER H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNI, TOP2B ALDH1A1 462/4885KDM4E 2186/4885MAPT 3834/4885
US-20020143026-A1 Cyano-substituted dihydropyrimidine compounds and their use to treat diseases CCNB1, BUB1B, BUB1 ALDH1A1 980/4885KDM4E 1638/4885MAPT 2038/4885
US-20250257075-A1 MACROCYCLIC INHIBITORS OF KRAS FOR THE TREATMENT OF CANCER KRAS, NRAS, HRAS ALDH1A1 1751/4885KDM4E 3164/4885MAPT 4563/4885
US-20250268894-A1 MACROCYCLE COMPOUNDS FOR THE TREATMENT OF CANCER H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RCC2, CCNA1 ALDH1A1 624/4885KDM4E 3077/4885MAPT 4372/4885
US-20030008888-A1 Novel cyano-substituted dihydropyrimidine compounds and their use to treat diseases CCNB1, BUB1B, BUB1 ALDH1A1 1500/4885KDM4E 1839/4885MAPT 1949/4885

“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.