SCHEMBL20199405

SCHEMBL20199405

O=C(O)c1cc(Cl)nn2cc(-c3ccccc3)nc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.50
SMN1; SMN2 Q16637 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
PPARA Q07869 2/20 0.43
GSK3A P49840 5/20 0.43
MAPT P10636 2/20 0.43
GSK3B P49841 1/20 0.43
LMNA P02545 1/20 0.42
PDE10A Q9Y233 1/20 0.42
TP53 P04637 2/20 0.41
TMIGD3 P0DMS9 1/20 0.41
CTRC Q99895 1/20 0.40
ALOX15 P16050 1/20 0.40
NFKB1 P19838 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
SCHEMBL14881382 0.87 F2RL3 (0.45) DHODHKDM4EALDH1A1PPARAMAPT
SCHEMBL14881771 0.83 EIF4E (0.42) DHODHSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL20199403 0.83 KDM4E (0.54) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL30224560 0.78 SMN1; SMN2 (0.49) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL20199329 0.78 GSK3A (0.63) DHODHALDH1A1GSK3AMAPTGSK3B
SCHEMBL17857306 0.77 KDM4E (0.42) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL23993911 0.75 SMN1; SMN2 (0.46) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL14881493 0.74 F2RL3 (0.49) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL6178995 0.73 DHODH (0.48) DHODHSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL20199621 0.72 DCTPP1 (0.54) SMN1; SMN2MEN1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110225912-B GSK-3 inhibitors 百时美施贵宝公司 2022-10-21 CN disclosed
EP-3544980-B1 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-10-13 EP disclosed
EP-3544980-B1 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-10-13 EP disclosed
US-10774086-B2 GSK-3 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-09-15 US disclosed
US-10774086-B2 GSK-3 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-09-15 US disclosed
US-20190276463-A1 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-09-12 US disclosed
US-20190276463-A1 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-09-12 US disclosed
WO-2018098411-A1 GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-31 WO 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-20190276463-A1 GSK-3 INHIBITORS GSK3B, GSK3A, GSKIP DHODH 1591/4885SMN1; SMN2 523/4885MEN1 2040/4885
US-10774086-B2 GSK-3 inhibitors GSK3B, GSK3A, GSKIP DHODH 1591/4885SMN1; SMN2 523/4885MEN1 2040/4885

“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.