SCHEMBL17050896

SCHEMBL17050896

Clc1nc(Cl)nc(-c2cccnc2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
SMN1; SMN2 Q16637 6/20 0.59
HPGD P15428 4/20 0.59
TP53 P04637 3/20 0.59
KDM4E B2RXH2 3/20 0.59
MAPT P10636 3/20 0.59
LMNA P02545 2/20 0.59
HSD17B10 Q99714 2/20 0.59
ALOX15 P16050 1/20 0.59
HTT P42858 1/20 0.59
CYP2A6 P11509 7/20 0.57
CYP1A2 P05177 2/20 0.56
CYP3A4 P08684 2/20 0.56
CHRNB2 P17787 1/20 0.52
CHRNA5 P30532 1/20 0.52
CHRNA4 P43681 1/20 0.52
KMT2A Q03164 1/20 0.50
CYP19A1 P11511 1/20 0.50
NPC1 O15118 3/20 0.48
TSHR P16473 1/20 0.47

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
SCHEMBL17486128 0.96 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2HPGDTP53KDM4E
SCHEMBL22650230 0.90 KMT2A (0.54) ALDH1A1SMN1; SMN2HPGDTP53KDM4E
SCHEMBL22130016 0.90 CYP2A6 (0.56) ALDH1A1SMN1; SMN2HPGDTP53KDM4E
SCHEMBL21707244 0.86 CYP2A6 (0.56) ALDH1A1SMN1; SMN2HPGDTP53KDM4E
SCHEMBL29543568 0.84 SMN1; SMN2 (0.73) ALDH1A1SMN1; SMN2HPGDTP53KDM4E
SCHEMBL5032444 0.84 SMN1; SMN2 (0.73) ALDH1A1SMN1; SMN2HPGDTP53KDM4E
SCHEMBL17470582 0.83 CYP2A6 (0.52) ALDH1A1SMN1; SMN2HPGDTP53KDM4E
SCHEMBL29603965 0.83 CYP2A6 (0.52) ALDH1A1SMN1; SMN2HPGDTP53KDM4E
SCHEMBL20465274 0.83 MKNK1 (0.53) ALDH1A1SMN1; SMN2HPGDTP53KDM4E
SCHEMBL24813326 0.82 CYP2A6 (0.60) ALDH1A1SMN1; SMN2HPGDTP53KDM4E

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
CN-112645893-A Synthesis method of dihalogenated s-triazine 营口昌成新材料科技有限公司 2021-04-13 CN disclosed
US-20210070717-A1 ORGANIC COMPOUND BASED ON TRIAZINE AND BENZOXAZOLE AND APPLICATION THEREOF IN ORGANIC ELECTROLUMINESCENT DEVICE JIANGSU SUNERA TECHNOLOGY CO., LTD. (CN) 2021-03-11 US disclosed
US-20150249217-A1 TRIAZINE-CONTAINING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-09-03 US disclosed
US-20150249217-A1 TRIAZINE-CONTAINING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-09-03 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-20150249217-A1 TRIAZINE-CONTAINING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING THE SAME IKZF2, POU5F1, ETV6 ALDH1A1 564/4885SMN1; SMN2 4769/4885HPGD 3863/4885
US-20210070717-A1 ORGANIC COMPOUND BASED ON TRIAZINE AND BENZOXAZOLE AND APPLICATION THEREOF IN ORGANIC ELECTROLUMINESCENT DEVICE OCIAD1, EED, OCIAD2 ALDH1A1 1116/4885SMN1; SMN2 4531/4885HPGD 2216/4885

“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.