SCHEMBL21056239

SCHEMBL21056239

O=C(OCc1ccccc1)N1CC[C@H](c2nc(Br)c3c(Cl)nccn23)C1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 6/20 0.46
JAK1 P23458 6/20 0.46
GRIN2B Q13224 6/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
USP30 Q70CQ3 1/20 0.43
CYP2C19 P33261 1/20 0.42
PDE4B Q07343 1/20 0.42
TYK2 P29597 5/20 0.42
JAK3 P52333 4/20 0.42
IGF1R P08069 2/20 0.41
CYP2D6 P10635 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP3A4 P08684 2/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41

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
SCHEMBL28722982 1.00 JAK2 (0.46) JAK2JAK1GRIN2BSMN1; SMN2NPC1
SCHEMBL14654246 0.96 JAK2 (0.47) JAK2JAK1GRIN2BSMN1; SMN2NPC1
SCHEMBL21050956 0.93 JAK2 (0.42) JAK2JAK1GRIN2BSMN1; SMN2NPC1
SCHEMBL30449939 0.91 IGF1R (0.49) JAK2JAK1TYK2JAK3IGF1R
SCHEMBL12442146 0.89 JAK2 (0.47) JAK2JAK1GRIN2BSMN1; SMN2NPC1
SCHEMBL21050808 0.89 IGF1R (0.49) JAK2JAK1SMN1; SMN2CYP2C19IGF1R
SCHEMBL26359420 0.89 GRIN2B (0.46) JAK2JAK1GRIN2BSMN1; SMN2NPC1
SCHEMBL28724598 0.89 IGF1R (0.49) JAK2JAK1SMN1; SMN2CYP2C19IGF1R
SCHEMBL14647465 0.86 JAK2 (0.47) JAK2JAK1GRIN2BSMN1; SMN2NPC1
SCHEMBL15929297 0.85 IGF1R (0.51) JAK2JAK1TYK2JAK3IGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240109896-A1 FGFR KINASE INHIBITOR AND USE THEREOF YA THERAPEUTICS INC (CN) 2024-04-04 US disclosed
WO-2022166469-A1 FGFR KINASE INHIBITOR AND USE THEREOF 药雅科技(上海)有限公司 2022-08-11 WO disclosed
CN-109715626-B Heterocyclic compounds as FGFR inhibitors 广州诺诚健华医药科技有限公司 2022-04-26 CN disclosed
US-10752631-B2 Heterocyclic compounds as FGFR inhibitors GUANGZHOU INNOCARE PHARMA TECH CO., LTD. (CN) 2020-08-25 US disclosed
EP-3498706-A1 HETEROCYCLIC COMPOUND AS FGFR INHIBITOR Guangzhou InnoCare Pharma Tech Co., Ltd. (CN) 2019-06-19 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 (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-20240109896-A1 FGFR KINASE INHIBITOR AND USE THEREOF FGFR1, FGFR2, FGFR3 JAK2 11/4885JAK1 17/4885GRIN2B 1214/4885
US-10752631-B2 Heterocyclic compounds as FGFR inhibitors FGFR1, FGFR3, FGFR2 JAK2 72/4885JAK1 108/4885GRIN2B 3198/4885

“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.