SCHEMBL18122060

SCHEMBL18122060

Nc1nc(-c2ccc3c(c2)CCC(=O)N3)c(Cl)s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.60
▸ ALDH1A1 P00352 1/20 0.60
▸ POLB P06746 1/20 0.60
▸ HTT P42858 1/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ NPC1 O15118 1/20 0.53
▸ MMP12 P39900 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ PDE3B Q13370 4/20 0.47
▸ PDE3A Q14432 4/20 0.47
▸ CYP11B1 P15538 3/20 0.47
▸ CYP11B2 P19099 3/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ TBXAS1 P24557 2/20 0.47
▸ KIF11 P52732 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2B6 P20813 1/20 0.46

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
Hydrochloric Acid SCHEMBL18114121 0.99 MAPT (0.59) MAPTALDH1A1POLBHTTSMN1; SMN2
SCHEMBL3676863 0.89 PGR (0.51) MAPTALDH1A1POLBHTTSMN1; SMN2
SCHEMBL10664070 0.85 MAPT (0.60) MAPTALDH1A1POLBHTTSMN1; SMN2
SCHEMBL10663776 0.82 MAPT (0.57) MAPTALDH1A1POLBHTTSMN1; SMN2
SCHEMBL5068409 0.75 MAPT (1.00) MAPTALDH1A1POLBHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL21799330 0.74 MAPT (0.97) MAPTALDH1A1POLBHTTSMN1; SMN2
SCHEMBL10662326 0.74 MAPT (0.62) MAPTALDH1A1POLBHTTSMN1; SMN2
SCHEMBL10661877 0.73 GRIA1 (0.54) MAPTALDH1A1POLBHTTSMN1; SMN2
SCHEMBL3603921 0.73 MAPT (0.49) MAPTALDH1A1POLBHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL10662967 0.72 GRIA1 (0.53) MAPTALDH1A1POLBHTTSMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10344026-B2 Compositions and methods of targeting mutant K-ras NANTBIO, INC. (US) 2019-07-09 — — US disclosed
US-10344026-B2 Compositions and methods of targeting mutant K-ras NANTBIO, INC. (US) 2019-07-09 — — US disclosed
US-20180201610-A1 COMPOSITIONS AND METHODS OF TARGETING MUTANT K-RAS NANTBIO, INC. 2018-07-19 — — US disclosed
US-20180201610-A1 COMPOSITIONS AND METHODS OF TARGETING MUTANT K-RAS NANTBIO, INC. 2018-07-19 — — US disclosed
US-20180201610-A1 COMPOSITIONS AND METHODS OF TARGETING MUTANT K-RAS NANTBIO, INC. 2018-07-19 — — US disclosed
US-20180086752-A1 COMPOSITIONS AND METHODS OF TARGETING MUTANT K-RAS NANTBIO, INC. 2018-03-29 — — US disclosed
US-20180086752-A1 COMPOSITIONS AND METHODS OF TARGETING MUTANT K-RAS NANTBIO, INC. 2018-03-29 — — US disclosed
WO-2016161361-A1 COMPOSITIONS AND METHODS OF TARGETING MUTANT K-RAS NANTBIOSCIENCE, INC. (US) 2016-10-06 — — 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 (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-10344026-B2 Compositions and methods of targeting mutant K-ras KRAS, NRAS, HRAS MAPT 4029/4885ALDH1A1 4472/4885POLB 2312/4885
US-20180086752-A1 COMPOSITIONS AND METHODS OF TARGETING MUTANT K-RAS KRAS, NRAS, HRAS MAPT 4029/4885ALDH1A1 4472/4885POLB 2312/4885
US-20180201610-A1 COMPOSITIONS AND METHODS OF TARGETING MUTANT K-RAS KRAS, NRAS, HRAS MAPT 4029/4885ALDH1A1 4472/4885POLB 2312/4885

“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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