SCHEMBL7785841

SCHEMBL7785841

Cc1cc(C)cc(CC[C@@H](Nc2nc(N)nc(C(C)(C)F)n2)C2CC2)c1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 5/20 0.31
HRH4 Q9H3N8 2/20 0.31
IDH2 P48735 2/20 0.30

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
SCHEMBL6303088 1.00 IDH1 (0.31) IDH1HRH4IDH2
SCHEMBL6170779 0.94 IDH1 (0.30) IDH1HRH4
SCHEMBL7785412 0.94 IDH1 (0.30) IDH1HRH4
SCHEMBL1551285 0.82 HTR7 (0.38) IDH1HRH4
SCHEMBL1552281 0.82 HTR7 (0.38) IDH1HRH4
SCHEMBL1551284 0.82 HTR7 (0.38) IDH1HRH4
SCHEMBL1551811 0.80 HTR7 (0.42) IDH1HRH4IDH2
SCHEMBL1552520 0.80 HTR7 (0.42) IDH1HRH4IDH2
SCHEMBL1551807 0.80 HTR7 (0.42) IDH1HRH4IDH2
SCHEMBL4004607 0.76 HTR7 (0.41) HRH4

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-20010011063-A1 Substituted 2,4-diamino-1,3,5-triazines, processes for their preparation and their use as herbicides and plant growth regulators AVENTIS CROPSCIENCE GMBH (DE) 2001-08-02 US disclosed
WO-2001044208-A1 4,6-SUBSTITUTED 2-AMINO-1,3,5-TRIAZINE DERIVATIVES, A METHOD FOR PRODUCING SAME AND THE USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS AVENTIS CROPSCIENCE GMBH (DE) 2001-06-21 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-20010011063-A1 Substituted 2,4-diamino-1,3,5-triazines, processes for their preparation and their use as herbicides and plant growth regulators DDT, DAZAP1, SAT1 IDH1 382/4885HRH4 583/4885IDH2 480/4885

“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.