SCHEMBL7189205

SCHEMBL7189205

N#Cc1ccc(Cn2cncc2CCN2CCOCC2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.44
KCNJ1 P48048 1/20 0.44
CYP11B1 P15538 4/20 0.43
CYP11B2 P19099 4/20 0.43
FNTA P49354 7/20 0.43
FNTB P49356 7/20 0.43
PGGT1B P53609 6/20 0.43
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
SIGMAR1 Q99720 2/20 0.38
CDK1 P06493 1/20 0.37
KDR P35968 1/20 0.37

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
SCHEMBL7163804 0.88 CYP11B1 (0.46) KCNH2KCNJ1CYP11B1CYP11B2FNTA
Hydrochloric Acid SCHEMBL7183805 0.80 CYP11B1 (0.47) CYP11B1CYP11B2
SCHEMBL7168713 0.79 FNTA (0.45) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL3500956 0.79 FNTA (0.54) KCNH2CYP11B1CYP11B2FNTAFNTB
SCHEMBL3500684 0.79 FNTA (0.54) FNTAFNTBPGGT1B
SCHEMBL7713277 0.78 CYP11B1 (0.46) KCNH2CYP11B1CYP11B2
SCHEMBL496015 0.78 HRH3 (0.50) KCNH2KCNJ1KDM4ECDK1KDR
SCHEMBL6409294 0.78 FNTA (0.48) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL6433915 0.78 CYP11B1 (0.64) CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL7982028 0.77 CYP11B1 (0.46) CYP11B1CYP11B2

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-20030220241-A1 Method of treating cancer DEFEO-JONES DEBORAH (US) 2003-11-27 US disclosed
US-20020037888-A1 4-imidazol-1-ylmethyl-2-(2-(2-oxo-piperidin-1-yl)-phenoxy) -benzonitrile for example; farnesyl-protein transferase inhibitors; treating cancer, benign proliferative disorder, hepatitis virus, restenosis, and polycystic kidney disease MERCK & CO., INC. 2002-03-28 US disclosed
US-6297239-B1 Inhibitors of prenyl-protein transferase MERCK & CO., INC. 2001-10-02 US disclosed
US-6284755-B1 Inhibitors of prenyl-protein transferase MERCK & CO., INC. 2001-09-04 US disclosed
WO-2000059930-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 2000-10-12 WO disclosed
WO-2000034437-A2 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-06-15 WO 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-20030220241-A1 Method of treating cancer ACP3, PSAT1, LCAT KCNH2 4867/4885KCNJ1 4858/4885CYP11B1 530/4885
US-20020037888-A1 4-imidazol-1-ylmethyl-2-(2-(2-oxo-piperidin-1-yl)-phenoxy) -benzonitrile for example; farnesyl-protein transferase inhibitors; treating cancer, benign proliferative disorder, hepatitis virus, restenosis, and polycystic kidney disease FNTA, PKD1, FNTB KCNH2 4390/4885KCNJ1 4238/4885CYP11B1 3154/4885

“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.