SCHEMBL20598523

SCHEMBL20598523

O=C(Nc1ccc(N2CCOCC2)cc1N1CCCCC1)c1csc(Br)n1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 2/20 0.56
▸ NTRK2 Q16620 1/20 0.56
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ MAPT P10636 1/20 0.52
▸ CSF1R P07333 5/20 0.50
▸ IRAK4 Q9NWZ3 3/20 0.49
▸ PIM1 P11309 3/20 0.49
▸ PIM3 Q86V86 3/20 0.49
▸ PIM2 Q9P1W9 1/20 0.47

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
SCHEMBL20598729 0.93 CSF1R (0.49) NTRK1NTRK2MEN1KMT2ASMN1; SMN2
SCHEMBL20598372 0.86 TSHR (0.49) NTRK1NTRK2MEN1KMT2AMAPT
SCHEMBL20598423 0.85 PIM1 (0.46) NTRK1NTRK2MEN1KMT2ASMN1; SMN2
SCHEMBL30501448 0.85 NTRK1 (0.57) NTRK1NTRK2MEN1KMT2ASMN1; SMN2
SCHEMBL20598735 0.85 NTRK1 (0.57) NTRK1NTRK2MEN1KMT2ASMN1; SMN2
SCHEMBL20598394 0.84 PIM1 (0.53) NTRK1NTRK2MAPTIRAK4PIM1
SCHEMBL20598602 0.84 PIM1 (0.44) NTRK1NTRK2MEN1KMT2ASMN1; SMN2
SCHEMBL20597905 0.84 CSF1R (0.44) CSF1RIRAK4PIM1PIM3PIM2
SCHEMBL20598191 0.84 CHEK1 (0.61) NTRK1NTRK2MEN1KMT2ASMN1; SMN2
SCHEMBL30501201 0.84 CHEK1 (0.61) NTRK1NTRK2MEN1KMT2ASMN1; SMN2

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 NTRK1 726/4885NTRK2 524/4885MEN1 3526/4885
US-20210309655-A1 KINASE INHIBITORS AND METHODS FOR MAKING AND USING IRAK1, IRAK2, IRAK3 NTRK1 726/4885NTRK2 524/4885MEN1 3526/4885
US-10590121-B2 Kinase inhibitors and methods for making and using IRAK1, IRAK2, IRAK3 NTRK1 730/4885NTRK2 546/4885MEN1 3076/4885
US-20200181135-A1 KINASE INHIBITORS AND METHODS FOR MAKING AND USING IRAK1, IRAK2, IRAK3 NTRK1 726/4885NTRK2 524/4885MEN1 3526/4885
US-11059814-B2 Kinase inhibitors and methods for making and using IRAK1, IRAK2, IRAK3 NTRK1 942/4885NTRK2 568/4885MEN1 3161/4885

“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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