SCHEMBL5746929

SCHEMBL5746929

Cc1ccc(-c2c(Cl)nc3ncnn3c2NC(C)C)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ TSHR P16473 3/20 0.38
▸ POLB P06746 1/20 0.38
▸ CREBBP Q92793 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ GAA P10253 1/20 0.36
▸ PDE2A O00408 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ ALOX15 P16050 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
SCHEMBL25616298 0.92 HTT (0.38) HTTALDH1A1KMT2ATSHRPOLB
SCHEMBL25616304 0.90 HTT (0.37) HTTALDH1A1KMT2ATSHRPOLB
SCHEMBL25616317 0.90 HTT (0.37) HTTALDH1A1KMT2ATSHRPOLB
SCHEMBL14270926 0.85 EGLN2 (0.38) ALDH1A1KMT2ATSHRPOLBMEN1
SCHEMBL5746844 0.83 ALDH1A1 (0.42) HTTALDH1A1KMT2ATSHRPOLB
SCHEMBL3423435 0.81 MAPK1 (0.35) ALDH1A1KMT2ATSHRPOLBL3MBTL1
SCHEMBL975954 0.81 MAPK1 (0.38) ALDH1A1KMT2ATSHRPOLBL3MBTL1
SCHEMBL4820252 0.80 MAPK1 (0.40) ALDH1A1KMT2ATSHRPOLBMEN1
SCHEMBL4488801 0.80 MAPK1 (0.40) ALDH1A1KMT2ATSHRPOLBMEN1
SCHEMBL4818079 0.80 KDM4E (0.40) ALDH1A1KMT2ATSHRPOLBL3MBTL1

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-7094894-B2 Fungicidal triazolopyrimidines, method for the production thereof, use thereof for controlling harmful fungi, and agents containing said fungicidal triazolopyrimidines BASF AKTIENGESELLSCHAFT (DE) 2006-08-22 — — US disclosed
EP-1504009-B1 FUNGICIDAL TRIAZOLOPYRIMIDINES, METHOD FOR THE PRODUCTION THEREOF, USE THEREOF FOR CONTROLLING HARMFUL FUNGI, AND AGENTS CONTAINING SAID FUNGICIDAL TRIAZOLOPYRIMIDINES BASF AG (DE) 2006-07-12 — — EP disclosed
US-20050256138-A1 Fungicidal triazolopyrimidines, method for the production thereof, use thereof for controlling harmful fungi, and agents containing said fungicidal triazolopyrimidines BASF AKTIENGESELLSCHAFT (DE) 2005-11-17 — — 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-20050256138-A1 Fungicidal triazolopyrimidines, method for the production thereof, use thereof for controlling harmful fungi, and agents containing said fungicidal triazolopyrimidines CBR1, CBR3, DPM1 HTT 1911/4885ALDH1A1 205/4885KMT2A 2609/4885

“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.

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