SCHEMBL5746797

SCHEMBL5746797

Cc1ccc(-c2c(C)nc3ncnn3c2N2CCC(C)CC2)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PAX2 Q02962 1/20 0.47
LMNA P02545 7/20 0.46
ALDH1A1 P00352 5/20 0.46
TSHR P16473 5/20 0.42
NPSR1 Q6W5P4 3/20 0.42
GLA P06280 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
HTT P42858 2/20 0.41
PDE2A O00408 4/20 0.40
MAPT P10636 5/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
EGLN2 Q96KS0 1/20 0.38
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GAA P10253 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
SCHEMBL5747350 0.88 LMNA (0.41) PAX2LMNAALDH1A1TSHRNPSR1
SCHEMBL5746793 0.87 EGLN2 (0.43) PAX2LMNAALDH1A1TSHRNPSR1
SCHEMBL8386247 0.87 TSHR (0.50) PAX2LMNAALDH1A1TSHRNPSR1
SCHEMBL5593344 0.86 LMNA (0.44) PAX2LMNAALDH1A1TSHRNPSR1
SCHEMBL976406 0.84 LMNA (0.47) PAX2LMNAALDH1A1TSHRNPSR1
SCHEMBL8390421 0.84 TSHR (0.49) PAX2LMNAALDH1A1TSHRNPSR1
SCHEMBL3424814 0.83 PDE2A (0.46) PAX2LMNAALDH1A1TSHRNPSR1
SCHEMBL5593364 0.82 LMNA (0.42) PAX2LMNAALDH1A1TSHRNPSR1
SCHEMBL5593201 0.81 EGLN2 (0.41) PAX2LMNAALDH1A1TSHRNPSR1
SCHEMBL4818506 0.80 TSHR (0.46) LMNAALDH1A1TSHRNPSR1GLA

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 PAX2 4881/4885LMNA 2340/4885ALDH1A1 205/4885

“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.