SCHEMBL19948805

SCHEMBL19948805

O=C1Cc2cnc(N3CCNCC3)nc2CN1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ POLB P06746 1/20 0.48
▸ ALDH1A1 P00352 16/20 0.42
▸ CYP1A2 P05177 15/20 0.42
▸ HSD17B10 Q99714 15/20 0.42
▸ CASP1 P29466 14/20 0.42
▸ CASP7 P55210 13/20 0.42
▸ HPGD P15428 9/20 0.42
▸ CYP3A4 P08684 9/20 0.42
▸ CYP2C19 P33261 6/20 0.42
▸ TSHR P16473 3/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ ADRB1 P08588 1/20 0.40
▸ USP2 O75604 7/20 0.39
▸ CYP2C9 P11712 8/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ HIF1A Q16665 5/20 0.38
▸ GLA P06280 3/20 0.38
▸ CYP2D6 P10635 2/20 0.38

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
SCHEMBL13740980 0.86 POLB (0.58) SMN1; SMN2POLBALDH1A1KDM4ETP53
SCHEMBL9685225 0.77 MKNK2 (0.51) SMN1; SMN2POLBALDH1A1CYP1A2HSD17B10
SCHEMBL10519806 0.77 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1CYP1A2HSD17B10CASP1
SCHEMBL22720338 0.74 SMN1; SMN2 (0.76) SMN1; SMN2POLBALDH1A1CYP1A2HSD17B10
SCHEMBL25677916 0.72 HTR2C (0.56) SMN1; SMN2POLBALDH1A1CYP1A2HSD17B10
SCHEMBL8898686 0.72 SMN1; SMN2 (0.54) SMN1; SMN2POLBALDH1A1CYP1A2HSD17B10
Hydrochloric Acid SCHEMBL8898072 0.71 SMN1; SMN2 (0.52) SMN1; SMN2POLBALDH1A1CYP1A2HSD17B10
SCHEMBL23282512 0.70 OGA (0.48) SMN1; SMN2POLBALDH1A1CYP1A2HSD17B10
SCHEMBL1847339 0.69 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1CYP1A2HSD17B10CASP1
Hydrochloric Acid SCHEMBL31633382 0.69 USP2 (0.53) SMN1; SMN2POLBALDH1A1CYP1A2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10633381-B2 KRas G12C inhibitors Mirati Therapeutics, Inc. (US) 2020-04-28 — — US disclosed
US-10125134-B2 KRas G12C inhibitors Mirati Therapeutics, Inc. (US) 2018-11-13 — — US disclosed
US-20180072723-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. 2018-03-15 — — 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 (3 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-10633381-B2 KRas G12C inhibitors KRAS, NRAS, HRAS SMN1; SMN2 4385/4885POLB 1699/4885ALDH1A1 3370/4885
US-10125134-B2 KRas G12C inhibitors KRAS, NRAS, HRAS SMN1; SMN2 4385/4885POLB 1699/4885ALDH1A1 3370/4885
US-20180072723-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS SMN1; SMN2 4385/4885POLB 1699/4885ALDH1A1 3370/4885

“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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