SCHEMBL3605170

SCHEMBL3605170

Cc1c(C(=O)C=CN(C)C)ccnc1Cl

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.47
HTT P42858 4/20 0.47
HPGD P15428 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
ALOX12 P18054 1/20 0.47
ALDH1A1 P00352 6/20 0.44
GAA P10253 5/20 0.44
KDM4E B2RXH2 1/20 0.44
RECQL P46063 2/20 0.42
RAB9A P51151 5/20 0.42
NPC1 O15118 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
POLB P06746 2/20 0.42
LMNA P02545 3/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 2/20 0.40

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
SCHEMBL13503036 1.00 MAPT (0.47) MAPTHTTHPGDCYP1A2CYP2C19
SCHEMBL504040 0.80 SMN1; SMN2 (0.53) MAPTHTTHPGDCYP1A2CYP2C19
SCHEMBL12778132 0.80 SMN1; SMN2 (0.53) MAPTHTTHPGDCYP1A2CYP2C19
SCHEMBL504041 0.80 SMN1; SMN2 (0.53) MAPTHTTHPGDCYP1A2CYP2C19
SCHEMBL31145321 0.74 ALDH1A1 (0.49) MAPTHTTHPGDCYP1A2CYP2C19
SCHEMBL8681876 0.74 HTT (0.57) MAPTHTTHPGDCYP1A2CYP2C19
SCHEMBL8681874 0.74 HTT (0.57) MAPTHTTHPGDCYP1A2CYP2C19
SCHEMBL581067 0.73 SMN1; SMN2 (0.55) MAPTALDH1A1KDM4ERAB9ASMN1; SMN2
SCHEMBL3656546 0.73 LMNA (0.41) ALDH1A1KDM4ESMN1; SMN2POLBLMNA
SCHEMBL1119080 0.73 SMN1; SMN2 (0.41) MAPTHTTHPGDALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048597-A1 Organic Compounds and Their Uses NOVARTIS AG 2010-02-25 US disclosed
EP-2094682-A2 HETEROARYL-HETEROARYL COMPOUNDS AS CDK INHIBITORS FOR THE TREATMENT OF CANCER, INFLAMMATION AND VIRAL INFECTIONS Novartis AG (CH) 2009-09-02 EP disclosed
WO-2008079933-A2 HETEROARYL-HETEROARYL COMPOUNDS AS CDK INHIBITORS FOR THE TREATMENT OF CANCER, INFLAMMATION AND VIRAL INFECTIONS NOVARTIS AG (CH) 2008-07-03 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-20100048597-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 MAPT 1424/4885HTT 961/4885HPGD 808/4885

“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.