SCHEMBL6024459

SCHEMBL6024459

CC(=O)Nn1cc(-c2cccnc2)nc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.45
PIK3CG P48736 1/20 0.45
CYP1A2 P05177 2/20 0.45
AURKA O14965 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
CYP2A6 P11509 6/20 0.44
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 3/20 0.42
CYP2E1 P05181 2/20 0.42
CYP2B6 P20813 2/20 0.42
CYP3A4 P08684 4/20 0.41
ATR Q13535 1/20 0.41
POLB P06746 1/20 0.41
ABL1 P00519 1/20 0.41
PDGFRB P09619 1/20 0.41

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
SCHEMBL2691744 0.90 CYP2A6 (0.45) PIK3CAPIK3CGCYP1A2AURKACYP2A6
SCHEMBL2730816 0.88 CYP2A6 (0.43) CYP1A2AURKACYP2A6CYP11B1CYP11B2
SCHEMBL14908430 0.85 CYP2A6 (0.41) PIK3CAPIK3CGCYP1A2AURKAADORA1
SCHEMBL10269516 0.85 CYP2A6 (0.44) CYP2A6CYP11B1CYP11B2RAB9ANPC1
SCHEMBL2690698 0.85 PIK3CA (0.44) PIK3CAPIK3CGCYP1A2AURKAADORA2A
SCHEMBL2690120 0.82 CYP2A6 (0.49) CYP1A2AURKACYP2A6CYP2C9CYP2C19
SCHEMBL2689360 0.82 HTT (0.44) CYP1A2AURKACYP2A6RAB9ACYP2C9
SCHEMBL27988856 0.82 CYP2A6 (0.43) PIK3CAPIK3CGCYP1A2AURKACYP2A6
SCHEMBL2699868 0.79 CYP2A6 (0.48) CYP1A2CYP2A6CYP11B1CYP11B2RAB9A
SCHEMBL14896480 0.79 CYP3A4 (0.39) CYP1A2CYP2A6RAB9ANPC1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9210931-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2015-12-15 US disclosed
US-9210931-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2015-12-15 US disclosed
US-20150289509-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2015-10-15 US disclosed
US-20150289509-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2015-10-15 US disclosed
US-20140296068-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-10-02 US disclosed
US-20140296068-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-10-02 US disclosed
US-8680121-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES, LLC. (US) 2014-03-25 US disclosed
US-8680121-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES, LLC. (US) 2014-03-25 US disclosed
WO-2012061288-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2012-05-10 WO disclosed
US-20120110701-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2012-05-03 US disclosed
US-20120110701-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2012-05-03 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 (3 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-20140296068-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, AGPS, DDT PIK3CA 864/4885PIK3CG 450/4885CYP1A2 69/4885
US-20120110701-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, AGPS, DDT PIK3CA 864/4885PIK3CG 450/4885CYP1A2 69/4885
US-20150289509-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, AGPS, DDT PIK3CA 864/4885PIK3CG 450/4885CYP1A2 69/4885

“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.