SCHEMBL23508727

SCHEMBL23508727

Cc1ccc2nn(C)c(Cl)c2c1Cl

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 9/20 0.34
▸ MEN1 O00255 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ CHRM4 P08173 2/20 0.31
▸ PDE3B Q13370 1/20 0.30
▸ PDE3A Q14432 1/20 0.30
▸ NR1H2 P55055 1/20 0.30
▸ NR1H3 Q13133 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
SCHEMBL19489400 0.81 PTPN11 (0.33) PTPN11MEN1NPC1RAB9AKMT2A
SCHEMBL21653695 0.79 PTPN11 (0.35) PTPN11ALDH1A1CYP3A4
SCHEMBL21631683 0.79 PTPN11 (0.33) PTPN11
SCHEMBL23683058 0.79 PTPN11 (0.33) PTPN11
SCHEMBL21631669 0.78 MEN1 (0.39) PTPN11MEN1KMT2AALDH1A1CYP1A2
SCHEMBL23229326 0.78 PTPN11 (0.32) PTPN11
SCHEMBL23013784 0.77 PTPN11 (0.34) PTPN11
SCHEMBL29021059 0.72 PTPN11 (0.31) PTPN11
SCHEMBL30474592 0.71 PRMT5 (0.41) ALDH1A1CYP1A2POLBCYP2C19
SCHEMBL21631801 0.70 PTPN11 (0.32) PTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037345-B2 Heterobicyclic compounds for inhibiting the activity of SHP2 TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-16 — — US disclosed
WO-2021115286-A1 SIX-MEMBERED AND FIVE-MEMBERED AROMATIC RING DERIVATIVE CONTAINING NITROGEN HETEROATOMS WHICH CAN BE USED AS SHP2 INHIBITOR 成都倍特药业股份有限公司 2021-06-17 — — 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 (1 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-12037345-B2 Heterobicyclic compounds for inhibiting the activity of SHP2 PTPN1, PTPN9, PTPN7 PTPN11 6/4885MEN1 2874/4885NPC1 4627/4885

“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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