SCHEMBL20598696

SCHEMBL20598696

O=C(Nc1cc(CC(=O)N2CCOCC2)ccc1N1CCCCC1)c1ccc(Br)o1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.64
▸ RAB9A P51151 5/20 0.64
▸ CYP1A2 P05177 1/20 0.62
▸ CYP2C9 P11712 1/20 0.62
▸ CYP2C19 P33261 1/20 0.62
▸ CSF1R P07333 7/20 0.61
▸ HTT P42858 4/20 0.61
▸ TSHR P16473 2/20 0.61
▸ NPSR1 Q6W5P4 1/20 0.61
▸ GAA P10253 2/20 0.60
▸ KMT2A Q03164 2/20 0.60
▸ ALDH1A1 P00352 5/20 0.60
▸ MAPK10 P53779 3/20 0.60
▸ HPGD P15428 2/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ HSD17B10 Q99714 3/20 0.58
▸ MAPT P10636 3/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ TP53 P04637 2/20 0.57
▸ MEN1 O00255 1/20 0.57

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
SCHEMBL20598528 0.92 CSF1R (0.61) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL20598518 0.86 NPC1 (0.66) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL20598498 0.85 NPC1 (0.65) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL30501343 0.84 NPC1 (0.64) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL20598450 0.84 NPC1 (0.64) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL20598829 0.84 NPC1 (0.72) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL20598222 0.82 PIM1 (0.46) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL20598842 0.82 NPC1 (0.45) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL30501423 0.82 PIM1 (0.46) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL20623367 0.81 CYP1A2 (0.69) NPC1RAB9ACYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111032642-B Kinase inhibitors and methods of making and using the same 里格尔药品股份有限公司 2023-07-18 — — CN disclosed
US-20210309655-A1 KINASE INHIBITORS AND METHODS FOR MAKING AND USING RIGEL PHARMACEUTICALS, INC. (US) 2021-10-07 — — US disclosed
US-20210309655-A1 KINASE INHIBITORS AND METHODS FOR MAKING AND USING RIGEL PHARMACEUTICALS, INC. (US) 2021-10-07 — — US disclosed
US-11059814-B2 Kinase inhibitors and methods for making and using RIGEL PHARMACEUTICALS, INC. (US) 2021-07-13 — — US disclosed
US-11059814-B2 Kinase inhibitors and methods for making and using RIGEL PHARMACEUTICALS, INC. (US) 2021-07-13 — — US disclosed
US-20200181135-A1 KINASE INHIBITORS AND METHODS FOR MAKING AND USING RIGEL PHARMACEUTICALS, INC. (US) 2020-06-11 — — US disclosed
US-20200181135-A1 KINASE INHIBITORS AND METHODS FOR MAKING AND USING RIGEL PHARMACEUTICALS, INC. (US) 2020-06-11 — — US disclosed
CN-111032642-A Kinase inhibitors and methods of making and using 里格尔药品股份有限公司 2020-04-17 — — CN disclosed
US-10590121-B2 Kinase inhibitors and methods for making and using RIGEL PHARMACEUTICALS, INC. (US) 2020-03-17 — — US disclosed
US-10590121-B2 Kinase inhibitors and methods for making and using RIGEL PHARMACEUTICALS, INC. (US) 2020-03-17 — — US disclosed
WO-2019006126-A1 KINASE INHIBITORS AND METHODS FOR MAKING AND USING RIGEL PHARMACEUTICALS, INC. (US) 2019-01-03 — — WO disclosed
US-20190002455-A1 KINASE INHIBITORS AND METHODS FOR MAKING AND USING RIGEL PHARMACEUTICALS, INC. (US) 2019-01-03 — — US disclosed
US-20190002455-A1 KINASE INHIBITORS AND METHODS FOR MAKING AND USING RIGEL PHARMACEUTICALS, INC. (US) 2019-01-03 — — 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 (5 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-20190002455-A1 KINASE INHIBITORS AND METHODS FOR MAKING AND USING IRAK1, IRAK2, IRAK3 NPC1 2113/4885RAB9A 3145/4885CYP1A2 4620/4885
US-20210309655-A1 KINASE INHIBITORS AND METHODS FOR MAKING AND USING IRAK1, IRAK2, IRAK3 NPC1 2113/4885RAB9A 3145/4885CYP1A2 4620/4885
US-10590121-B2 Kinase inhibitors and methods for making and using IRAK1, IRAK2, IRAK3 NPC1 1531/4885RAB9A 3101/4885CYP1A2 4132/4885
US-20200181135-A1 KINASE INHIBITORS AND METHODS FOR MAKING AND USING IRAK1, IRAK2, IRAK3 NPC1 2113/4885RAB9A 3145/4885CYP1A2 4620/4885
US-11059814-B2 Kinase inhibitors and methods for making and using IRAK1, IRAK2, IRAK3 NPC1 1370/4885RAB9A 2995/4885CYP1A2 3955/4885

“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.

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