SCHEMBL21314941

SCHEMBL21314941

COc1cc(OC)cc(-c2cc3cnc(Cl)cc3c(C(N)CN(C)C)n2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CYP1A1 P04798 3/20 0.33
CYP1B1 Q16678 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2E1 P05181 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2A6 P11509 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP4B1 P13584 1/20 0.33
CYP2B6 P20813 1/20 0.33
CYP3A5 P20815 1/20 0.33
CYP2A7 P20853 1/20 0.33
CYP3A7 P24462 1/20 0.33
CYP2F1 P24903 1/20 0.33
CYP2C18 P33260 1/20 0.33
CYP2C19 P33261 1/20 0.33
CYP2J2 P51589 1/20 0.33

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
SCHEMBL21314916 0.77 KDM1A (0.39) CYP3A4KDM1A
SCHEMBL21240342 0.74 NPC1 (0.39) NPC1RAB9A
SCHEMBL20331057 0.70 NPC1 (0.69) NPC1RAB9ACYP1A1CYP1B1CYP1A2
SCHEMBL21240210 0.69 PRKCD (0.46) NPC1RAB9AFGFR1
SCHEMBL30865638 0.68
SCHEMBL20331445 0.67 TRPM8 (0.40) NPC1RAB9ACYP1A1CYP1B1KDM1A
SCHEMBL20332243 0.62 NPC1 (0.49) NPC1RAB9ACYP1A1CYP1B1CYP1A2
SCHEMBL20330569 0.62 CASP3 (0.58) NPC1RAB9ACYP1A1CYP1B1FGFR1
SCHEMBL20331714 0.62 CCNB2 (0.42) NPC1RAB9A
SCHEMBL21314912 0.62 FGFR4 (0.32) FGFR1

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
US-11555036-B2 FGFR4 inhibitor, preparation method therefor and pharmaceutical use thereof ABBISKO THERAPEUTICS CO., LTD. (CN) 2023-01-17 US disclosed
US-10968220-B2 FGFR4 inhibitor, preparation method therefor and pharmaceutical use thereof ABBISKO THERAPEUTICS CO., LTD. (CN) 2021-04-06 US disclosed
US-20190270742-A1 FGFR4 INHIBITOR, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF ABBISKO THERAPEUTICS CO., LTD. (CN) 2019-09-05 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 (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-20190270742-A1 FGFR4 INHIBITOR, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF FGFR4, FGFR2, FGFR1 NPC1 4289/4885RAB9A 3622/4885CYP1A1 1190/4885
US-11555036-B2 FGFR4 inhibitor, preparation method therefor and pharmaceutical use thereof FGFR4, FGFR2, FGFR1 NPC1 4289/4885RAB9A 3622/4885CYP1A1 1190/4885
US-10968220-B2 FGFR4 inhibitor, preparation method therefor and pharmaceutical use thereof FGFR4, FGFR2, FGFR1 NPC1 4289/4885RAB9A 3622/4885CYP1A1 1190/4885

“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.