SCHEMBL21850860

SCHEMBL21850860

Cc1cn(-c2ccc(CN3CCNCC3)nn2)cn1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 5/20 0.40
▸ KCNJ1 P48048 2/20 0.39
▸ CXCR4 P61073 3/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP19A1 P11511 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ KDM5C P41229 1/20 0.38
▸ KDM4C Q9H3R0 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.36
▸ PRMT5 O14744 1/20 0.35
▸ BPTF Q12830 2/20 0.35
▸ GPR4 P46093 1/20 0.34

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
SCHEMBL18291567 0.78 CXCR4 (0.46) CXCR4CYP1A2KDM5CKDM4CLMNA
SCHEMBL21850877 0.78 LMNA (0.43) SCDKCNJ1CXCR4CYP1A2LMNA
SCHEMBL20168708 0.76 KCNJ1 (0.43) SCDKCNJ1CYP1A2CYP3A4CYP2D6
SCHEMBL21850829 0.73 LMNA (0.43) KCNJ1CXCR4CYP1A2KDM5CKDM4C
SCHEMBL22199095 0.71 SCD (0.48) SCDKCNJ1CYP1A2CYP3A4CYP2D6
SCHEMBL21850871 0.71 KCNJ1 (0.49) KCNJ1CXCR4LMNASIGMAR1
SCHEMBL24135343 0.70 CXCR4 (0.46) CXCR4CYP1A2CYP3A4CYP2D6CYP19A1
SCHEMBL24135549 0.70 CYP2E1 (0.40) CXCR4CYP1A2CYP3A4CYP2D6CYP19A1
SCHEMBL18291540 0.69 CXCR4 (0.46) CXCR4KDM5CKDM4CLMNASIGMAR1
SCHEMBL20037955 0.69 CXCR4 (0.46) CXCR4KDM5CKDM4CLMNASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200109135-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-04-09 — — 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 (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-20200109135-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS NR0B1, GRK1, GRIN1 SCD 3634/4885KCNJ1 562/4885CXCR4 666/4885

“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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