SCHEMBL961773

SCHEMBL961773

Cc1ccnc(-n2nc(C)cc2C)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.59
ALOX15 P16050 6/20 0.51
TP53 P04637 2/20 0.49
POLB P06746 4/20 0.47
USP2 O75604 1/20 0.47
PTPN7 P35236 1/20 0.47
CREBBP Q92793 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
BCL6 P41182 1/20 0.47
NPSR1 Q6W5P4 4/20 0.46
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 3/20 0.46
NTSR1 P30989 2/20 0.46
MAPK1 P28482 2/20 0.46
MEN1 O00255 1/20 0.46
XBP1 P17861 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46

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
SCHEMBL11178856 0.86 HTT (0.65) HTTALOX15TP53POLBUSP2
SCHEMBL27904491 0.84 HTT (0.53) HTTALOX15TP53POLBUSP2
SCHEMBL960876 0.80 HTT (0.52) HTTALOX15POLBUSP2PTPN7
SCHEMBL27930399 0.79 HTT (0.59) HTTALOX15TP53POLBUSP2
SCHEMBL946948 0.78 HTT (0.75) HTTALOX15TP53POLBUSP2
SCHEMBL4138642 0.78 HTT (0.68) HTTALOX15TP53POLBUSP2
SCHEMBL4211579 0.77 TP53 (0.71) HTTALOX15TP53POLBUSP2
Hydrochloric Acid SCHEMBL946927 0.76 HTT (0.72) HTTALOX15TP53POLBUSP2
SCHEMBL4210667 0.75 BCL6 (0.64) HTTALOX15TP53POLBUSP2
SCHEMBL11174391 0.74 HTT (1.00) HTTALOX15TP53POLBNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12312333-B2 SK channel positive allosteric modulators CHAPMAN UNIVERSITY (US) 2025-05-27 US disclosed
US-20230159500-A1 SK CHANNEL POSITIVE ALLOSTERIC MODULATORS CHAPMAN UNIVERSITY 2023-05-25 US disclosed
EP-2250998-B1 SKIN WHITENING AGENT AND EXTERNAL PREPARATION FOR THE SKIN SHISEIDO CO LTD (JP) 2016-04-13 EP disclosed
US-8563552-B2 Whitening agent and skin external preparation SHISEIDO COMPANY LTD. (JP) 2013-10-22 US disclosed
CN-101938988-B Skin whitening agent and external preparation for the skin SHISEIDO CO LTD 2013-06-19 CN disclosed
US-20110003817-A1 Whitening Agent And Skin External Preparation SHISEIDO COMPANY LTD. (JP) 2011-01-06 US disclosed
EP-2250998-A1 SKIN WHITENING AGENT AND EXTERNAL PREPARATION FOR THE SKIN Shiseido Company, Ltd. (JP) 2010-11-17 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 (3 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-20230159500-A1 SK CHANNEL POSITIVE ALLOSTERIC MODULATORS KCNN1, KCNN4, KCNN2 HTT 1211/4885ALOX15 3494/4885TP53 4111/4885
US-20110003817-A1 Whitening Agent And Skin External Preparation TYR, MC1R, RTN3 HTT 3402/4885ALOX15 510/4885TP53 4458/4885
US-12312333-B2 SK channel positive allosteric modulators KCNN1, KCNN4, KCNN2 HTT 1180/4885ALOX15 3570/4885TP53 4123/4885

“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.