SCHEMBL21631391

SCHEMBL21631391

Cn1nc2ccc(Br)c(F)c2c1Cl

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.34
▸ HTR7 P34969 1/20 0.34
▸ HTR6 P50406 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ PTPN11 Q06124 2/20 0.31
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30

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
SCHEMBL16369714 0.84 CHRM4 (0.40) HTR1AHTR7HTR6
SCHEMBL21631683 0.82 PTPN11 (0.33) PTPN11
SCHEMBL23229326 0.81 PTPN11 (0.32) PTPN11
SCHEMBL21653691 0.79 PTPN11 (0.32) PTPN11
SCHEMBL21653692 0.79 PTPN11 (0.31) PTPN11
SCHEMBL23208993 0.79 HTR1A (0.35) HTR1AHTR7HTR6
SCHEMBL20356533 0.77 HTR1A (0.33) HTR1AHTR7HTR6
SCHEMBL21653795 0.70 LPL (0.32) —
SCHEMBL21631687 0.70 CHRM4 (0.38) —
SCHEMBL23508727 0.69 PTPN11 (0.34) PTPN11CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112513050-B Heterocyclic compounds which inhibit SHP2 activity 大鹏药品工业株式会社 2024-12-20 — — CN disclosed
US-12037345-B2 Heterobicyclic compounds for inhibiting the activity of SHP2 TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-16 — — US disclosed
US-12037345-B2 Heterobicyclic compounds for inhibiting the activity of SHP2 TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-16 — — US disclosed
US-12037345-B2 Heterobicyclic compounds for inhibiting the activity of SHP2 TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-16 — — US disclosed
US-20230146795-A1 ENHANCEMENT OF ANTI-TUMOR ACTIVITY OF SHP2 INHIBITOR PYRIMIDINONE IN COMBINATION WITH NOVEL CANCER MEDICINES IN CANCERS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2023-05-11 — — US disclosed
US-20230146795-A1 ENHANCEMENT OF ANTI-TUMOR ACTIVITY OF SHP2 INHIBITOR PYRIMIDINONE IN COMBINATION WITH NOVEL CANCER MEDICINES IN CANCERS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2023-05-11 — — US disclosed
US-20230146795-A1 ENHANCEMENT OF ANTI-TUMOR ACTIVITY OF SHP2 INHIBITOR PYRIMIDINONE IN COMBINATION WITH NOVEL CANCER MEDICINES IN CANCERS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2023-05-11 — — US disclosed
US-20220363693-A1 HETEROBICYCLIC COMPOUNDS FOR INHIBITING THE ACTIVITY OF SHP2 TAIHO PHARMACEUTICAL CO., LTD. (JP) 2022-11-17 — — US disclosed
US-11466016-B2 Pharmaceutical compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2022-10-11 — — US disclosed
WO-2021149817-A1 Enhancement of anti-tumor activity of SHP2 inhibitor pyrimidinone in combination with novel cancer medicines in cancers TAIHO PHARMACEUTICAL CO., LTD. (JP) 2021-07-29 — — WO disclosed
WO-2021149817-A1 Enhancement of anti-tumor activity of SHP2 inhibitor pyrimidinone in combination with novel cancer medicines in cancers TAIHO PHARMACEUTICAL CO., LTD. (JP) 2021-07-29 — — WO disclosed
EP-3827009-A1 HETEROBICYCLIC COMPOUNDS FOR INHIBITING THE ACTIVITY OF SHP2 Taiho Pharmaceutical Co., Ltd. (JP) 2021-06-02 — — EP disclosed
US-20210107908-A1 PHARMACEUTICAL COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-04-15 — — US disclosed
CN-112513050-A Heterocyclic compounds inhibiting SHP2 activity 大鹏药品工业株式会社 2021-03-16 — — CN disclosed
EP-3759111-A1 PHARMACEUTICAL COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2021-01-06 — — EP disclosed
CN-111902415-A Pharmaceutical compounds 大冢制药株式会社 2020-11-06 — — CN disclosed
WO-2020022323-A1 HETEROBICYCLIC COMPOUNDS FOR INHIBITING THE ACTIVITY OF SHP2 TAIHO PHARMACEUTICAL CO., LTD. (JP) 2020-01-30 — — WO disclosed
WO-2020022323-A1 HETEROBICYCLIC COMPOUNDS FOR INHIBITING THE ACTIVITY OF SHP2 TAIHO PHARMACEUTICAL CO., LTD. (JP) 2020-01-30 — — 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 (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-20210107908-A1 PHARMACEUTICAL COMPOUNDS MAPT, CYP3A5, SLC5A1 HTR1A 3144/4885HTR7 1851/4885HTR6 2121/4885
US-20230146795-A1 ENHANCEMENT OF ANTI-TUMOR ACTIVITY OF SHP2 INHIBITOR PYRIMIDINONE IN COMBINATION WITH NOVEL CANCER MEDICINES IN CANCERS PTPN5, PTPN7, PTPN1 HTR1A 4136/4885HTR7 3422/4885HTR6 4632/4885
US-11466016-B2 Pharmaceutical compounds MAPT, CYP3A5, SLC5A1 HTR1A 3144/4885HTR7 1851/4885HTR6 2121/4885
US-20220363693-A1 HETEROBICYCLIC COMPOUNDS FOR INHIBITING THE ACTIVITY OF SHP2 PTPN1, PTPN9, PTPN7 HTR1A 2999/4885HTR7 3382/4885HTR6 3552/4885
US-12037345-B2 Heterobicyclic compounds for inhibiting the activity of SHP2 PTPN1, PTPN9, PTPN7 HTR1A 3265/4885HTR7 3702/4885HTR6 3830/4885

“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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