SCHEMBL5598367

SCHEMBL5598367

CC(C)(C)C(=O)Nc1ccc(C#N)nn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
AR P10275 2/20 0.41
KDM4E B2RXH2 2/20 0.38
ADORA1 P30542 2/20 0.38
KDR P35968 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
PAX8 Q06710 1/20 0.36
KLF5 Q13887 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL18642986 0.81 PTK2 (0.46) L3MBTL1KDM4ELMNACYP1A2PANK3
SCHEMBL14840510 0.78 GRM5 (0.46) L3MBTL1ADORA1NPC1RAB9APOLB
SCHEMBL18642987 0.77 ADORA2A (0.43) KDM4EADORA1NPC1RAB9AALDH1A1
SCHEMBL18643148 0.77 HSD17B10 (0.42) ADORA1NPC1RAB9AALDH1A1TP53
SCHEMBL856063 0.76 MEN1 (0.53) L3MBTL1KDM4EKDRNPC1RAB9A
SCHEMBL3922902 0.76 L3MBTL1 (0.48) L3MBTL1KDM4EADORA1NPC1RAB9A
SCHEMBL15017984 0.75 L3MBTL1 (0.47) L3MBTL1KDM4EADORA1KDRNPC1
SCHEMBL5591663 0.75 L3MBTL1 (0.47) L3MBTL1ADORA1KDRNPC1RAB9A
SCHEMBL17857141 0.75 L3MBTL1 (0.47) L3MBTL1KDM4EADORA1KDRNPC1
SCHEMBL13904227 0.75 L3MBTL1 (0.47) L3MBTL1KDM4EADORA1KDRNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170073334-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-03-16 US disclosed
WO-2007034278-A2 FUSED IMIDAZOLE DERIVATIVES AS C3A RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2007-03-29 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 (1 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-20170073334-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE PRKACA, PRKDC, PRKACB L3MBTL1 2514/4885AR 3387/4885KDM4E 1978/4885

“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.