SCHEMBL5593173

SCHEMBL5593173

Nc1c(-c2ccccc2)cnc2ncnn12

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.72
▸ POLB P06746 1/20 0.72
▸ GAA P10253 1/20 0.64
▸ NPC1 O15118 9/20 0.59
▸ RAB9A P51151 9/20 0.59
▸ MEN1 O00255 4/20 0.59
▸ KMT2A Q03164 4/20 0.59
▸ SMN1; SMN2 Q16637 4/20 0.53
▸ KDM4E B2RXH2 3/20 0.53
▸ RXFP1 Q9HBX9 1/20 0.51
▸ AURKA O14965 1/20 0.47
▸ MAPT P10636 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ EGLN2 Q96KS0 1/20 0.44
▸ STAT1 P42224 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ DGAT1 O75907 1/20 0.41
▸ KDR P35968 1/20 0.40

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
SCHEMBL10835557 0.84 ALDH1A1 (0.53) ALDH1A1POLBGAANPC1RAB9A
SCHEMBL7096531 0.80 ALDH1A1 (0.48) ALDH1A1POLBGAANPC1RAB9A
SCHEMBL4472222 0.75 ALDH1A1 (0.60) ALDH1A1POLBGAANPC1RAB9A
SCHEMBL18878966 0.73 ALDH1A1 (0.43) ALDH1A1POLBGAANPC1RAB9A
SCHEMBL11476738 0.70 ALDH1A1 (0.74) ALDH1A1GAAKMT2ASMN1; SMN2KDM4E
SCHEMBL5229531 0.70 ALDH1A1 (0.47) ALDH1A1POLBGAANPC1RAB9A
SCHEMBL4157774 0.70 ALDH1A1 (0.51) ALDH1A1POLBGAANPC1RAB9A
SCHEMBL10372114 0.70 NPC1 (0.56) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL609328 0.69 ALDH1A1 (0.50) ALDH1A1POLBGAAKDR
SCHEMBL5288530 0.69 ALDH1A1 (0.50) ALDH1A1POLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190174759-A1 FUNGICIDAL ACTIVE COMPOUND COMBINATIONS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2019-06-13 — — US disclosed
US-9844220-B2 Synergistic fungicidal active substance combinations FMC CORPORATION (US) 2017-12-19 — — US disclosed
US-9717247-B2 Synergistic fungicidal active combinations BAYER CROPSCIENCE AG (DE) 2017-08-01 — — US disclosed
WO-2007099092-A1 SUBSTITUTED 6-PHENYL-7-AMINO[1,2,4]-TRIAZOLO[1,5-a]PYRIMIDINES AND THEIR USE FOR CONTROLLING PATHOGENIC FUNGI BASF SE (DE) 2007-09-07 — — WO disclosed
WO-2007099092-A1 SUBSTITUTED 6-PHENYL-7-AMINO[1,2,4]-TRIAZOLO[1,5-a]PYRIMIDINES AND THEIR USE FOR CONTROLLING PATHOGENIC FUNGI BASF SE (DE) 2007-09-07 — — WO disclosed
WO-2007099092-A1 SUBSTITUTED 6-PHENYL-7-AMINO[1,2,4]-TRIAZOLO[1,5-a]PYRIMIDINES AND THEIR USE FOR CONTROLLING PATHOGENIC FUNGI BASF SE (DE) 2007-09-07 — — WO disclosed
US-RE32676-E 7-aminozolo[1,5-a]pyrimidines and fungicides containing these BASF AKTIENGESELLSCHAFT (DE) 1988-05-24 — — US disclosed
EP-0141317-B1 7-Amino-azolo[1,5-a]pyrimidines and fungicides containing them BASF Aktiengesellschaft (DE) 1988-01-20 — — EP disclosed
US-4617303-A 7-aminoazolo[1,5-a]pyrimidines and fungicides containing these BASF AKTIENGESELLSCHAFT (DE) 1986-10-14 — — US disclosed
EP-0141317-A2 7-Amino-azolo[1,5-a]pyrimidines and fungicides containing them BASF Aktiengesellschaft (DE) 1985-05-15 — — EP 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-20190174759-A1 FUNGICIDAL ACTIVE COMPOUND COMBINATIONS DDT, CYP4X1, CYP51A1 ALDH1A1 516/4885POLB 3522/4885GAA 317/4885

“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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