SCHEMBL18545162

SCHEMBL18545162

Cc1c(-c2ccc(C#N)cc2)oc2cc(Nc3ncncn3)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.41
TDO2 P48775 3/20 0.41
MAOB P27338 2/20 0.39
MAPT P10636 2/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
CNR1 P21554 1/20 0.39
CASP1 P29466 1/20 0.39
CNR2 P34972 1/20 0.39
CASP7 P55210 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP19A1 P11511 2/20 0.39
CCNT1 O60563 1/20 0.38
CCNK O75909 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CDK9 P50750 1/20 0.38
JAK1 P23458 1/20 0.37
JAK3 P52333 1/20 0.37
MAPKAPK2 P49137 1/20 0.36

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
SCHEMBL17204267 0.79 ABCG2 (0.43) IDO1MAPTCYP3A4ALOX15CNR1
SCHEMBL17204094 0.76 CYP19A1 (0.39) MAOBMAPTCYP3A4ALOX15CNR1
SCHEMBL11877181 0.76 MAPT (0.44) IDO1MAOBMAPTCYP3A4ALOX15
SCHEMBL17204236 0.74 ABCB1 (0.39) MAPTCYP3A4ALOX15CNR1CASP1
SCHEMBL28610259 0.73 SYK (0.51) TDO2MAOBCYP3A4CYP2C9CYP2C19
SCHEMBL28619400 0.65 CDC7 (0.63) MAOBCDK2CDC7
SCHEMBL31235584 0.65 CDC7 (0.63) MAOBCDK2CDC7
SCHEMBL28662588 0.62 TNKS (0.47) IDO1MAPTSMN1; SMN2CYP2C9CYP2C19
SCHEMBL27637976 0.62 SYK (0.56) TDO2MAOBCDK2JAK1JAK3
SCHEMBL1881253 0.61 CDC7 (0.61) MAOBCYP3A4SMN1; SMN2CDK2CYP2C9

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-9822105-B2 Diaminotriazine compounds as herbicides BASF SE (DE) 2017-11-21 US disclosed
US-20170050954-A1 Diaminotriazine Compounds as Herbicides BASF SE (DE) 2017-02-23 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 (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-20170050954-A1 Diaminotriazine Compounds as Herbicides NR4A3, RXRB, CBR3 IDO1 1449/4885TDO2 1514/4885MAOB 1874/4885

“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.