SCHEMBL1878015

SCHEMBL1878015

Cc1nc2ccc([NH])cc2s1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 9/20 0.61
▸ NPC1 O15118 7/20 0.57
▸ RAB9A P51151 7/20 0.57
▸ ALDH1A1 P00352 3/20 0.57
▸ HPGD P15428 2/20 0.57
▸ HSD17B10 Q99714 2/20 0.57
▸ TP53 P04637 1/20 0.57
▸ MAPT P10636 1/20 0.57
▸ PKM P14618 1/20 0.57
▸ GAA P10253 1/20 0.53
▸ HTT P42858 4/20 0.53
▸ TDP1 Q9NUW8 2/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ KMT2A Q03164 3/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ LDHA P00338 2/20 0.50
▸ LMNA P02545 2/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL1047042 0.84 ALDH1A1 (0.57) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL8470440 0.80 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL30542465 0.79 SMN1; SMN2 (0.66) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL84327 0.79 SMN1; SMN2 (0.66) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL2615304 0.76 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL1218824 0.76 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL378504 0.76 SMN1; SMN2 (1.00) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL20041121 0.76 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL9514118 0.76 KMT2A (0.51) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL2615303 0.76 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230478-A1 4-Alkyl-substituted diaminopyrimidines Bayer ScienceCrop AG (DE) 2011-09-22 — — US claimed
US-20110105472-A1 Diaminopyrimidines as crop protection agents BAYER CROPSCIENCE AG (DE) 2011-05-05 — — US claimed
US-20110230478-A1 4-Alkyl-substituted diaminopyrimidines Bayer ScienceCrop AG (DE) 2011-09-22 — — US disclosed
US-20110105472-A1 Diaminopyrimidines as crop protection agents BAYER CROPSCIENCE AG (DE) 2011-05-05 — — 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 (2 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-20110230478-A1 4-Alkyl-substituted diaminopyrimidines DPM1, DPYD, POLR1C SMN1; SMN2 3079/4885NPC1 4644/4885RAB9A 4047/4885
US-20110105472-A1 Diaminopyrimidines as crop protection agents DDX41, DDX1, DDX5 SMN1; SMN2 2376/4885NPC1 4614/4885RAB9A 706/4885

“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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