SCHEMBL4301919

SCHEMBL4301919

CC(C)c1ccnn2cnnc12

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 3/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 1/20 0.34
NR1I2 O75469 1/20 0.31
HSD11B1 P28845 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
ELANE P08246 1/20 0.31
TOP2A P11388 1/20 0.31
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
CREBBP Q92793 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL3721259 0.81 HTT (0.35) HTTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL6618620 0.75 CYP3A4 (0.44) HTTALDH1A1KDM4EKMT2AMEN1
SCHEMBL6622021 0.75 GRM5 (0.33) ALDH1A1KDM4ELMNA
SCHEMBL8795590 0.75 KDM4E (0.50) HTTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL14667001 0.72 SMPD3 (0.36) HPGDELANEALOX15TSHRLMNA
SCHEMBL24548242 0.71 HTT (0.38) HTTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9935160 0.71 HTT (0.38) HTTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL18878946 0.71 HTT (0.38) HTTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL11837892 0.70 SMPD3 (0.39) HTTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL6269053 0.70 NR1I2 (0.40) KDM4EHPGDHSD17B10NR1I2HSD11B1

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
WO-2023173083-A1 TETRAHYDROINDOLE DERIVATIVES AS EGFR AND/OR HER2 INHIBTORS USEFUL FOR THE TREATMENT OF CANCER SCORPION THERAPEUTICS, INC. (US) 2023-09-14 WO disclosed
US-8188083-B2 Triazolopyridazines ABBOTT LABORATORIES (US) 2012-05-29 US disclosed
US-20090270402-A1 Novel triazolopyridazines ABBVIE INC. 2009-10-29 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-20090270402-A1 Novel triazolopyridazines MAP3K5, MAP3K1, MAP3K2 HTT 4687/4885ALDH1A1 435/4885KDM4E 3083/4885

“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.