Sugi Predict

Sugi Predict / Compounds / SCHEMBL20539675

SCHEMBL20539675

SCHEMBL20539675

Cn1ncc(C#N)c1NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ HTT P42858 4/20 0.40
▸ MAPT P10636 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ TP53 P04637 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ GLA P06280 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ KCNN4 O15554 1/20 0.34
▸ IMPDH2 P12268 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
SCHEMBL5148612 0.82 ALDH1A1 (0.36) HPGDALDH1A1HTTMAPTMAPK1
SCHEMBL5148619 0.82 CYP11B2 (0.36) HPGDALDH1A1HTTMAPTMAPK1
SCHEMBL5151655 0.82 CSNK2A1 (0.35) HPGDALDH1A1MAPK1KDM4EGLA
SCHEMBL3113554 0.77 KCNN4 (0.37) HPGDHTTMAPK1LMNACYP1A2
SCHEMBL5148548 0.77 HDAC3 (0.34) HPGDALDH1A1SMN1; SMN2KDM4EKCNN4
SCHEMBL5148553 0.77 HDAC3 (0.34) HPGDALDH1A1SMN1; SMN2KDM4EKCNN4
SCHEMBL4199230 0.74 BRD9 (0.36) ALDH1A1TSHRKCNN4
SCHEMBL4205056 0.74 ACSS2 (0.31) —
SCHEMBL5148652 0.74 GFER (0.42) HPGDMAPK1LMNAKDM4E
SCHEMBL17853170 0.73 KDM4C (0.42) ALDH1A1MAPTSMN1; SMN2POLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107787324-B Process for preparing carbamoylaminopyrazole derivatives 桑多斯股份公司 2020-05-19 — — CN disclosed
US-10351533-B2 Process for the preparation of carbamoylamino pyrazole derivatives SANDOZ AG (CH) 2019-07-16 — — US disclosed
US-10351533-B2 Process for the preparation of carbamoylamino pyrazole derivatives SANDOZ AG (CH) 2019-07-16 — — US disclosed
EP-3313821-B1 PROCESS FOR THE PREPARATION OF CARBAMOYLAMINO PYRAZOLE DERIVATIVES SANDOZ AG (CH) 2019-04-10 — — EP disclosed
US-20180305319-A1 Process for the Preparation of Carbamoylamino Pyrazole Derivatives SANDOZ AG (CH) 2018-10-25 — — US disclosed
CN-107787324-A Process for preparing carbamoylaminopyrazole derivatives 桑多斯股份公司 2018-03-09 — — CN 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 (2 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-10351533-B2 Process for the preparation of carbamoylamino pyrazole derivatives PAICS, PPOX, DDC HPGD 804/4885ALDH1A1 2213/4885HTT 3821/4885
US-20180305319-A1 Process for the Preparation of Carbamoylamino Pyrazole Derivatives PAICS, PPOX, DDC HPGD 804/4885ALDH1A1 2213/4885HTT 3821/4885

“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.